0 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,0,0,0,0,0|3,0,1]=4 1 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,0,0,0,0,0|3,0,1]=4 2 B12R0.44 C=C(C)CCC(C)NCCC(C)C 270004a_100000210545_100011215600 [0,0,0,0,0,0|3,0,0]=3 3 B12R0.44 C=C(C)CCC(C)NCCC(C)O 270004a_200000755665_100011215600 [0,0,0,0,0,0|4,0,0]=4 4 B12R0.44 C=C(C)CCC(C)NCCN(C)C 270004a_100000210585_100011215600 [0,0,0,0,0,0|4,0,0]=4 5 B12R0.44 C=C(C)CCN(C)CCCN(C)C 269982a_100000225831_100000730704 [0,0,0,0,0,0|4,0,0]=4 6 B12R0.44 C=C(C)CNC(C)CCCC(C)C 2230a_100000210607_100000748629 [0,0,0,0,0,0|3,0,0]=3 7 B12R0.44 C=C(C)COC(C)CCCC(C)C 34a_200011218570_100000748629 [0,0,0,0,0,0|3,0,0]=3 8 B12R0.44 C=C(C)COC(C)CCCC(C)C 7a_200011218570_100000748629 [0,0,0,0,0,0|3,0,0]=3 9 B12R0.44 C=C(F)CNC(C)CCCC(C)C 2230a_100000210607_100009893438 [0,0,0,0,0,0|3,0,0]=3 10 B12R0.44 C=C(F)COC(C)CCCC(C)C 34a_200011218570_100009893438 [0,0,0,0,0,0|3,0,0]=3 11 B12R0.44 C=C(F)COC(C)CCCC(C)C 7a_200011218570_100000042424 [0,0,0,0,0,0|3,0,0]=3 12 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,0,0,0,0,0|2,0,2]=4 13 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,0,0,0,0,0|2,0,2]=4 14 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,0,0,0,0,0|1,0,3]=4 15 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,0,0,0,0,0|2,0,2]=4 16 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,0,0|1,0,2]=3 17 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,0,0,0,0,0|1,0,0]=1 18 B12R0.44 CC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000053229 [0,0,0,0,0,0|3,0,0]=3 19 B12R0.44 CC(=O)NCC(=O)CCCC(C)C 1458a_100000194580_100011214892 [0,0,0,0,0,0|3,0,1]=4 20 B12R0.44 CC(=O)NN=C(C)CCCC(C)C 4a_100000189765_100000753411 [0,0,0,0,0,0|3,0,1]=4 21 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,0,0,0,0,0|3,0,1]=4 22 B12R0.44 CC(=O)OCC(C)NCCC(C)C 270004a_100000210545_100000000629 [0,0,0,0,0,0|3,0,0]=3 23 B12R0.44 CC(=O)OCC(C)NCCC(C)O 270004a_200000755665_100000000629 [0,0,0,0,0,0|4,0,0]=4 24 B12R0.44 CC(=O)OCC(C)NCCN(C)C 270004a_100000210585_100000000629 [0,0,0,0,0,0|4,0,0]=4 25 B12R0.44 CC(=O)OCC(O)CNCC(C)C 34a_100000210953_200000139349 [0,0,0,0,0,0|4,0,0]=4 26 B12R0.44 CC(=O)OCC(O)COCC(C)C 34a_100000210257_200000139349 [0,0,0,0,0,0|4,0,0]=4 27 B12R0.44 CC(=O)OCC(O)CSCC(C)C 62a_100000210624_200000139349 [0,0,0,0,0,0|4,0,0]=4 28 B12R0.44 CC(=O)OCC(O)CSCC(C)C 62a_200000139349_100000210760 [0,0,0,0,0,0|4,0,0]=4 29 B12R0.44 CC(=O)OCN(C)CCCN(C)C 269982a_100000225831_100000076356 [0,0,0,0,0,0|4,0,0]=4 30 B12R0.44 CC(=O)SCC(=O)CCCC(C)C 1458a_100000049016_100011214892 [0,0,0,0,0,0|3,0,1]=4 31 B12R0.44 CC(=O)SCC(C)CNCC(C)C 2230a_100000210953_200000116872 [0,0,0,0,0,0|3,0,0]=3 32 B12R0.44 CC(=O)SCC(C)CNCC(C)C 34a_100000210953_200000116872 [0,0,0,0,0,0|3,0,0]=3 33 B12R0.44 CC(=O)SCC(C)CNCC(C)O 2230a_100000210904_200000116872 [0,0,0,0,0,0|4,0,0]=4 34 B12R0.44 CC(=O)SCC(C)CNCC(C)O 34a_100000210904_200000116872 [0,0,0,0,0,0|4,0,0]=4 35 B12R0.44 CC(=O)SCC(C)COCC(C)Br 34a_100012180447_200000116872 [0,0,0,0,0,0|4,0,0]=4 36 B12R0.44 CC(=O)SCC(C)COCC(C)C 34a_100000210257_200000116872 [0,0,0,0,0,0|3,0,0]=3 37 B12R0.44 CC(=O)SCC(C)COCC(C)F 34a_100015925927_200000116872 [0,0,0,0,0,0|4,0,0]=4 38 B12R0.44 CC(=O)SCC(C)COC[C@@H](C)Cl 34a_100016084084_200000116872 [0,0,0,0,0,0|4,0,0]=4 39 B12R0.44 CC(=O)SCC(C)COC[C@@H](C)N 34a_100000737577_200000116872 [0,0,0,0,0,0|4,0,0]=4 40 B12R0.44 CC(=O)SCC(C)CSCC(C)C 62a_100000210624_200000116872 [0,0,0,0,0,0|3,0,0]=3 41 B12R0.44 CC(=O)SCC(C)CSCC(C)C 62a_200000116872_100000210760 [0,0,0,0,0,0|3,0,0]=3 42 B12R0.44 CC(=O)SCC(C)CSCC(C)O 62a_100011218427_200000116872 [0,0,0,0,0,0|4,0,0]=4 43 B12R0.44 CC(=O)SCC(C)CSCC(C)O 62a_200000116872_100011218427 [0,0,0,0,0,0|4,0,0]=4 44 B12R0.44 CC(=O)SCC(C)CSC[C@@H](C)O 62a_100009817552_200000116872 [0,0,0,0,0,0|4,0,0]=4 45 B12R0.44 CC(=O)SCC(C)CSC[C@@H](C)O 62a_200000116872_100009817552 [0,0,0,0,0,0|4,0,0]=4 46 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,0,0,0,0,0|2,0,1]=3 47 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,0,0,0,0,0|2,0,2]=4 48 B12R0.44 CC(C)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011214892 [0,0,0,0,0,0|2,0,2]=4 49 B12R0.44 CC(C)CCCC(=O)CNC(=O)N 1458a_100000184981_100011214892 [0,0,0,0,0,0|3,0,1]=4 50 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 11a_100000711301_100011216857 [0,0,0,0,0,0|3,0,1]=4 51 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100011216857 [0,0,0,0,0,0|3,0,1]=4 52 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 527a_100000711301_100011216857 [0,0,0,0,0,0|3,0,1]=4 53 B12R0.44 CC(C)CCCC(C)CCN(C)C 2230a_100102631434_100009816328 [0,0,0,0,0,0|3,0,0]=3 54 B12R0.44 CC(C)CCCC(C)CCN(C)C 269982a_100102631434_100009816328 [0,0,0,0,0,0|3,0,0]=3 55 B12R0.44 CC(C)CCCC(C)NCC(=O)N 2230a_100000210607_100000747473 [0,0,0,0,0,0|2,0,0]=2 56 B12R0.44 CC(C)CCCC(C)NCC(C)C 2230a_100000210607_100000210760 [0,0,0,0,0,0|3,0,1]=4 57 B12R0.44 CC(C)CCCC(C)NCC(C)C 270004a_100000210607_100000210432 [0,0,0,0,0,0|3,0,1]=4 58 B12R0.44 CC(C)CCCC(C)NCC(C)C 270004a_100000210953_100000753411 [0,0,0,0,0,0|3,0,1]=4 59 B12R0.44 CC(C)CCCC(C)NCC(C)O 2230a_100000210607_100011218427 [0,0,0,0,0,0|2,0,1]=3 60 B12R0.44 CC(C)CCCC(C)NCC(C)O 270004a_100000210904_100000753411 [0,0,0,0,0,0|2,0,1]=3 61 B12R0.44 CC(C)CCCC(C)NCC(F)F 2230a_100000210607_100011934356 [0,0,0,0,0,0|3,0,1]=4 62 B12R0.44 CC(C)CCCC(C)NCC(F)F 270004a_100000765723_100000753411 [0,0,0,0,0,0|3,0,1]=4 63 B12R0.44 CC(C)CCCC(C)NC[C@@H](C)O 2230a_100000210607_100009817552 [0,0,0,0,0,0|2,0,1]=3 64 B12R0.44 CC(C)CCCC(C)OCC(=O)N 34a_200011218570_100000187820 [0,0,0,0,0,0|2,0,0]=2 65 B12R0.44 CC(C)CCCC(C)OCC(=O)N 7a_200011218570_100000187820 [0,0,0,0,0,0|2,0,0]=2 66 B12R0.44 CC(C)CCCC(C)OCC(=O)[O-] 34a_200011218570_100020667443 [0,0,0,0,0,0|1,0,1]=2 67 B12R0.44 CC(C)CCCC(C)OCC(C)C 34a_200011218570_100000210624 [0,0,0,0,0,0|3,0,1]=4 68 B12R0.44 CC(C)CCCC(C)OCC(C)C 7a_200011218570_100000210760 [0,0,0,0,0,0|3,0,1]=4 69 B12R0.44 CC(C)CCCC(C)OCC(C)O 34a_200011218570_100011218427 [0,0,0,0,0,0|2,0,1]=3 70 B12R0.44 CC(C)CCCC(C)OCC(C)O 7a_200011218570_100011218427 [0,0,0,0,0,0|2,0,1]=3 71 B12R0.44 CC(C)CCCC(C)OCC(F)F 34a_200011218570_100011934356 [0,0,0,0,0,0|3,0,1]=4 72 B12R0.44 CC(C)CCCC(C)OCC(F)F 7a_200011218570_100011934356 [0,0,0,0,0,0|3,0,1]=4 73 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 34a_200011218570_100009817552 [0,0,0,0,0,0|2,0,1]=3 74 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 7a_200011218570_100009817552 [0,0,0,0,0,0|2,0,1]=3 75 B12R0.44 CC(C)CCCC(C)OC[N+](=O)[O-] 34a_200011218570_100000761209 [0,0,0,0,0,0|2,0,1]=3 76 B12R0.44 CC(C)CCCN(C)CCC(=O)N 2230a_100000730477_100011214892 [0,0,0,0,0,0|2,0,0]=2 77 B12R0.44 CC(C)CCCN(C)CCC(C)C 2230a_100000742789_100011214892 [0,0,0,0,0,0|3,0,1]=4 78 B12R0.44 CC(C)CCCN(C)CCC(C)C 269982a_100000742789_100011214892 [0,0,0,0,0,0|3,0,1]=4 79 B12R0.44 CC(C)CCCN(C)CCN(C)C 269982a_100000225618_100011214892 [0,0,0,0,0,0|4,0,0]=4 80 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 240690a_100000210545_100011215257 [0,0,0,0,0,0|3,0,1]=4 81 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 527a_100000210545_100011215257 [0,0,0,0,0,0|3,0,1]=4 82 B12R0.44 CC(C)CCNC(C)CCC(C)C 2230a_100138410893_100000210312 [0,0,0,0,0,0|3,0,1]=4 83 B12R0.44 CC(C)CCNC(C)CCC(C)C 269862a_100138410893_100000185833 [0,0,0,0,0,0|3,0,1]=4 84 B12R0.44 CC(C)CCNC(C)CCC(C)C 270004a_100000210545_100000210476 [0,0,0,0,0,0|3,0,1]=4 85 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100000210254_100011261404 [0,0,0,0,0,0|3,0,1]=4 86 B12R0.44 CC(C)CCOC(C)CCC(C)C 34a_100011215350_100000210312 [0,0,0,0,0,0|3,0,1]=4 87 B12R0.44 CC(C)CCOC(C)CCC(C)C 7a_100011215350_100000210626 [0,0,0,0,0,0|3,0,1]=4 88 B12R0.44 CC(C)CCSC(C)CCC(C)C 62a_100000210312_100011261404 [0,0,0,0,0,0|3,0,1]=4 89 B12R0.44 CC(C)CCSC(C)CCC(C)C 62a_100011261404_100000210312 [0,0,0,0,0,0|3,0,1]=4 90 B12R0.44 CC(C)CNCC(=O)NCC(=O)O 269956a_100000183575_100000210760 [0,0,0,0,0,0|3,0,1]=4 91 B12R0.44 CC(C)NCCC(=O)NCC(=O)O 269956a_100000722369_100000210206 [0,0,0,0,0,0|3,0,1]=4 92 B12R0.44 CC(C)OCCC(=O)CCC(=O)N 1458a_100011215257_100000211751 [0,0,0,0,0,0|3,0,1]=4 93 B12R0.44 CC(C)OCCN(C)CCC(=O)N 2230a_100000730477_100000211751 [0,0,0,0,0,0|3,0,0]=3 94 B12R0.44 CC(C)SCCC(=O)CCC(=O)N 1458a_100011215257_100000730970 [0,0,0,0,0,0|3,0,1]=4 95 B12R0.44 CC(C)SCCN(C)CCC(=O)N 2230a_100000730477_100000730970 [0,0,0,0,0,0|3,0,0]=3 96 B12R0.44 CC(O)CCCC(=O)CCC(=O)N 1458a_100011215257_200000718107 [0,0,0,0,0,0|3,0,1]=4 97 B12R0.44 CC(O)CCCN(C)CCC(=O)N 2230a_100000730477_200000718107 [0,0,0,0,0,0|3,0,0]=3 98 B12R0.44 CC(O)CCN(C)CCCN(C)C 269982a_100000225831_100012276601 [0,0,0,0,0,0|3,0,1]=4 99 B12R0.44 CC(O)CNC(C)CCOC(C)C 270004a_100000210904_200011219172 [0,0,0,0,0,0|3,0,1]=4 100 B12R0.44 CN(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100000695564 [0,0,0,0,0,0|3,0,1]=4 101 B12R0.44 CN(C)CCCN(C)CCC(=O)N 269982a_100000177782_200000210301 [0,0,0,0,0,0|3,0,0]=3 102 B12R0.44 CN(C)CCCN(C)CCC(=O)N 269982a_100000225831_100000744528 [0,0,0,0,0,0|3,0,0]=3 103 B12R0.44 CN(C)CCCN([13CH3])CCC(=O)N 269982a_100000177782_200025704644 [0,0,0,0,0,0|3,0,0]=3 104 B11R0.30 C=C(Br)CCOCCCC(C)C 34a_100009813270_100011214892 [1,0,0,0,0,0|3,0,0]=4 105 B11R0.30 C=C(C)CCNCCCC(C)C 2230a_200000737386_100000730704 [1,0,0,0,0,0|3,0,0]=4 106 B11R0.30 C=C(C)CCNCCCC(C)C 34a_200000737386_100000730704 [1,0,0,0,0,0|3,0,0]=4 107 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [1,0,0,0,0,0|3,0,0]=4 108 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [1,0,0,0,0,0|3,0,0]=4 109 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [1,0,0,0,0,0|3,0,0]=4 110 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100000730704_100011214892 [1,0,0,0,0,0|3,0,0]=4 111 B11R0.30 C=C(C)CCSCCCC(C)C 62a_100011214892_100000730704 [1,0,0,0,0,0|3,0,0]=4 112 B11R0.30 C=C(C)COCCCCC(C)C 34a_100000210245_100011216152 [1,0,0,0,0,0|3,0,0]=4 113 B11R0.30 C=C(C)COCCCCC(C)C 34a_100011214890_100000748629 [1,0,0,0,0,0|3,0,0]=4 114 B11R0.30 C=C(C)COCCCCC(C)C 7a_100011214890_100000748629 [1,0,0,0,0,0|3,0,0]=4 115 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100000748629_100011216152 [1,0,0,0,0,0|3,0,0]=4 116 B11R0.30 C=C(C)CSCCCCC(C)C 62a_100011216152_100000211660 [1,0,0,0,0,0|3,0,0]=4 117 B11R0.30 C=C(F)COCCCCC(C)C 34a_100011214890_100009893438 [1,0,0,0,0,0|3,0,0]=4 118 B11R0.30 C=C(F)COCCCCC(C)C 34a_200010262243_100011216152 [1,0,0,0,0,0|3,0,0]=4 119 B11R0.30 C=C(F)COCCCCC(C)C 7a_100011214890_100000042424 [1,0,0,0,0,0|3,0,0]=4 120 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100000042424_100011216152 [1,0,0,0,0,0|3,0,0]=4 121 B11R0.30 C=C(F)CSCCCCC(C)C 62a_100011216152_100000042424 [1,0,0,0,0,0|3,0,0]=4 122 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,0,0,0,0,0|1,0,2]=4 123 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,0,0,0,0,0|1,0,0]=2 124 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,0,0,0,0,0|2,0,1]=4 125 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,0,0,0,0,0|2,0,0]=3 126 B11R0.30 CC(=O)CCCCNCC(C)O 34a_100000210904_100009817362 [1,0,0,0,0,0|3,0,0]=4 127 B11R0.30 CC(=O)CCCCOCC(C)Br 34a_100012180447_100009817362 [1,0,0,0,0,0|3,0,0]=4 128 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,0,0,0,0,0|2,0,0]=3 129 B11R0.30 CC(=O)CCCCOCC(C)F 34a_100015925927_100009817362 [1,0,0,0,0,0|3,0,0]=4 130 B11R0.30 CC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100009817362 [1,0,0,0,0,0|3,0,0]=4 131 B11R0.30 CC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100009817362 [1,0,0,0,0,0|3,0,0]=4 132 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,0,0,0,0,0|2,0,0]=3 133 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,0,0,0,0,0|2,0,0]=3 134 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100000735457_100011218427 [1,0,0,0,0,0|3,0,0]=4 135 B11R0.30 CC(=O)CCCCSCC(C)O 62a_100011218427_100000735457 [1,0,0,0,0,0|3,0,0]=4 136 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100000735457_100009817552 [1,0,0,0,0,0|3,0,0]=4 137 B11R0.30 CC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000735457 [1,0,0,0,0,0|3,0,0]=4 138 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,0,0,0,0,0|3,0,0]=4 139 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,0,0,0,0,0|2,0,0]=3 140 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,0,0,0,0,0|2,0,0]=3 141 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,0,0,0,0,0|2,0,0]=3 142 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,0,0,0,0,0|2,0,0]=3 143 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,0,0,0,0,0|3,0,0]=4 144 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,0,0,0,0,0|3,0,0]=4 145 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [1,0,0,0,0,0|3,0,0]=4 146 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,0,0,0,0,0|3,0,0]=4 147 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [1,0,0,0,0,0|3,0,0]=4 148 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,0,0,0,0,0|2,0,0]=3 149 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,0,0,0,0,0|2,0,0]=3 150 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100011215641_100012276601 [1,0,0,0,0,0|3,0,0]=4 151 B11R0.30 CC(=O)CCCSCCC(C)O 62a_100012276601_100011215641 [1,0,0,0,0,0|3,0,0]=4 152 B11R0.30 CC(=O)CCCSCCN(C)C 62a_100011215641_100000755713 [1,0,0,0,0,0|3,0,0]=4 153 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100000709892_100011215641 [1,0,0,0,0,0|3,0,0]=4 154 B11R0.30 CC(=O)CCCSCOC(C)C 62a_100011215641_100000709892 [1,0,0,0,0,0|3,0,0]=4 155 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,0,0,0,0,0|2,0,0]=3 156 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,0,0,0,0,0|2,0,0]=3 157 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,0,0,0,0,0|2,0,0]=3 158 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,0,0,0,0,0|3,0,0]=4 159 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,0,0,0,0,0|3,0,0]=4 160 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [1,0,0,0,0,0|3,0,0]=4 161 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [1,0,0,0,0,0|3,0,0]=4 162 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [1,0,0,0,0,0|3,0,0]=4 163 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [1,0,0,0,0,0|3,0,0]=4 164 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [1,0,0,0,0,0|3,0,0]=4 165 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [1,0,0,0,0,0|3,0,0]=4 166 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [1,0,0,0,0,0|3,0,0]=4 167 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,0,0,0,0,0|2,0,0]=3 168 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,0,0,0,0,0|2,0,0]=3 169 B11R0.30 CC(=O)CCSCCCC(C)O 62a_100000053229_200000718107 [1,0,0,0,0,0|3,0,0]=4 170 B11R0.30 CC(=O)CCSCCCC(C)O 62a_200000718107_100000053229 [1,0,0,0,0,0|3,0,0]=4 171 B11R0.30 CC(=O)CCSCCCN(C)C 62a_100000053229_100000757444 [1,0,0,0,0,0|3,0,0]=4 172 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [1,0,0,0,0,0|3,0,0]=4 173 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [1,0,0,0,0,0|3,0,0]=4 174 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [1,0,0,0,0,0|3,0,0]=4 175 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [1,0,0,0,0,0|3,0,0]=4 176 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,0,0,0,0,0|2,0,0]=3 177 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,0,0,0,0,0|2,0,0]=3 178 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,0,0,0,0,0|2,0,0]=3 179 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,0,0,0,0,0|2,0,0]=3 180 B11R0.30 CC(=O)NCCCCCN(C)C 240690a_100020635752_100015343762 [1,0,0,0,0,0|3,0,0]=4 181 B11R0.30 CC(=O)NCCCCNC(C)C 2230a_200011368371_100000210206 [1,0,0,0,0,0|3,0,0]=4 182 B11R0.30 CC(=O)NCCCCNC(C)C 34a_200011368371_100000210206 [1,0,0,0,0,0|3,0,0]=4 183 B11R0.30 CC(=O)NCCCNCC(C)C 270004a_100000736810_100000210432 [1,0,0,0,0,0|3,0,0]=4 184 B11R0.30 CC(=O)NCCCNCC(C)C 34a_100000736810_100000210624 [1,0,0,0,0,0|3,0,0]=4 185 B11R0.30 CC(=O)NCCCOCC(C)C 11a_100000205972_100015343762 [1,0,0,0,0,0|3,0,0]=4 186 B11R0.30 CC(=O)NCCCOCC(C)C 1626a_100000205972_100015343762 [1,0,0,0,0,0|3,0,0]=4 187 B11R0.30 CC(=O)NCCCOCC(C)C 240690a_100000205972_100015343762 [1,0,0,0,0,0|3,0,0]=4 188 B11R0.30 CC(=O)NCCCOCC(C)C 34a_100000752032_100000210624 [1,0,0,0,0,0|3,0,0]=4 189 B11R0.30 CC(=O)NCCCOCC(C)C 527a_100000205972_100103153847 [1,0,0,0,0,0|3,0,0]=4 190 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [1,0,0,0,0,0|3,0,0]=4 191 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [1,0,0,0,0,0|3,0,0]=4 192 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [1,0,0,0,0,0|3,0,0]=4 193 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [1,0,0,0,0,0|3,0,0]=4 194 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [1,0,0,0,0,0|3,0,0]=4 195 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [1,0,0,0,0,0|3,0,0]=4 196 B11R0.30 CC(=O)OCCCCCN(C)C 2230a_100102631434_100009813381 [1,0,0,0,0,0|3,0,0]=4 197 B11R0.30 CC(=O)OCCCCCN(C)C 269982a_100102631434_100000033007 [1,0,0,0,0,0|3,0,0]=4 198 B11R0.30 CC(=O)OCCCCNC(C)C 34a_100138425928_100000033659 [1,0,0,0,0,0|3,0,0]=4 199 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000073216_100000210206 [1,0,0,0,0,0|3,0,0]=4 200 B11R0.30 CC(=O)OCCCCOC(C)C 34a_100000212225_100000033659 [1,0,0,0,0,0|3,0,0]=4 201 B11R0.30 CC(=O)OCCCCOC(C)C 7a_100000073216_100000210206 [1,0,0,0,0,0|3,0,0]=4 202 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000033659_100000210206 [1,0,0,0,0,0|3,0,0]=4 203 B11R0.30 CC(=O)OCCCCSC(C)C 62a_100000210206_100000033659 [1,0,0,0,0,0|3,0,0]=4 204 B11R0.30 CC(=O)OCCCNCC(C)C 34a_100000210953_100000042594 [1,0,0,0,0,0|3,0,0]=4 205 B11R0.30 CC(=O)OCCCOCC(C)C 34a_100000210257_100000042594 [1,0,0,0,0,0|3,0,0]=4 206 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000042594_100000210760 [1,0,0,0,0,0|3,0,0]=4 207 B11R0.30 CC(=O)OCCCSCC(C)C 62a_100000210624_100000042594 [1,0,0,0,0,0|3,0,0]=4 208 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,0,0,0,0,0|3,0,0]=4 209 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,0,0,0,0,0|3,0,0]=4 210 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [1,0,0,0,0,0|3,0,0]=4 211 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [1,0,0,0,0,0|3,0,0]=4 212 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [1,0,0,0,0,0|3,0,0]=4 213 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [1,0,0,0,0,0|3,0,0]=4 214 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [1,0,0,0,0,0|3,0,0]=4 215 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [1,0,0,0,0,0|3,0,0]=4 216 B11R0.30 CC(=O)SCCCCNC(C)C 2230a_100138425928_200010402107 [1,0,0,0,0,0|3,0,0]=4 217 B11R0.30 CC(=O)SCCCCNC(C)C 34a_100138425928_200010402107 [1,0,0,0,0,0|3,0,0]=4 218 B11R0.30 CC(=O)SCCCCOC(C)C 34a_100000212225_200010402107 [1,0,0,0,0,0|3,0,0]=4 219 B11R0.30 CC(=O)SCCCCSC(C)C 62a_100000210206_200010402107 [1,0,0,0,0,0|3,0,0]=4 220 B11R0.30 CC(=O)SCCCCSC(C)C 62a_200010402107_100000210206 [1,0,0,0,0,0|3,0,0]=4 221 B11R0.30 CC(=O)SCCCNCC(C)C 2230a_100000210953_100000038929 [1,0,0,0,0,0|3,0,0]=4 222 B11R0.30 CC(=O)SCCCNCC(C)C 34a_100000210953_100000038929 [1,0,0,0,0,0|3,0,0]=4 223 B11R0.30 CC(=O)SCCCOCC(C)C 34a_100000210257_100000038929 [1,0,0,0,0,0|3,0,0]=4 224 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000038929_100000210760 [1,0,0,0,0,0|3,0,0]=4 225 B11R0.30 CC(=O)SCCCSCC(C)C 62a_100000210624_100000038929 [1,0,0,0,0,0|3,0,0]=4 226 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [1,0,0,0,0,0|3,0,0]=4 227 B11R0.30 CC(Br)CCOCCCC(=O)N 34a_100009893172_100102525003 [1,0,0,0,0,0|3,0,0]=4 228 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,0,0,0,0,0|1,0,2]=4 229 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,0,0,0,0,0|1,0,0]=2 230 B11R0.30 CC(C)CCCCNCC(=O)N 2230a_100000711301_100011216152 [1,0,0,0,0,0|2,0,0]=3 231 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,0,0,0,0,0|1,0,0]=2 232 B11R0.30 CC(C)CCCCNCC(C)O 2230a_100000210904_100011216152 [1,0,0,0,0,0|2,0,1]=4 233 B11R0.30 CC(C)CCCCNCC(C)O 34a_100000210904_100011216152 [1,0,0,0,0,0|2,0,1]=4 234 B11R0.30 CC(C)CCCCOCC(=O)N 34a_100011214890_100000187820 [1,0,0,0,0,0|2,0,0]=3 235 B11R0.30 CC(C)CCCCOCC(=O)N 7a_100011214890_100000187820 [1,0,0,0,0,0|2,0,0]=3 236 B11R0.30 CC(C)CCCCOCC(=O)[O-] 34a_100011214890_100020667443 [1,0,0,0,0,0|1,0,1]=3 237 B11R0.30 CC(C)CCCCOCC(C)O 34a_100011214890_100011218427 [1,0,0,0,0,0|2,0,1]=4 238 B11R0.30 CC(C)CCCCOCC(C)O 7a_100011214890_100011218427 [1,0,0,0,0,0|2,0,1]=4 239 B11R0.30 CC(C)CCCCOC[C@@H](C)O 34a_100011214890_100009817552 [1,0,0,0,0,0|2,0,1]=4 240 B11R0.30 CC(C)CCCCOC[C@@H](C)O 7a_100011214890_100009817552 [1,0,0,0,0,0|2,0,1]=4 241 B11R0.30 CC(C)CCCCOC[N+](=O)[O-] 34a_100011214890_100000761209 [1,0,0,0,0,0|2,0,1]=4 242 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100000747473_100011216152 [1,0,0,0,0,0|2,0,0]=3 243 B11R0.30 CC(C)CCCCSCC(=O)N 62a_100011216152_100000747473 [1,0,0,0,0,0|2,0,0]=3 244 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100011216152_100020667443 [1,0,0,0,0,0|1,0,1]=3 245 B11R0.30 CC(C)CCCCSCC(=O)[O-] 62a_100020667443_100011216152 [1,0,0,0,0,0|1,0,1]=3 246 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011216152_100011218427 [1,0,0,0,0,0|2,0,1]=4 247 B11R0.30 CC(C)CCCCSCC(C)O 62a_100011218427_100011216152 [1,0,0,0,0,0|2,0,1]=4 248 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100009817552_100011216152 [1,0,0,0,0,0|2,0,1]=4 249 B11R0.30 CC(C)CCCCSC[C@@H](C)O 62a_100011216152_100009817552 [1,0,0,0,0,0|2,0,1]=4 250 B11R0.30 CC(C)CCCCSC[N+](=O)[O-] 62a_100011216152_100000761209 [1,0,0,0,0,0|2,0,1]=4 251 B11R0.30 CC(C)CCCNCCC(=O)N 2230a_200000737386_100000744528 [1,0,0,0,0,0|2,0,0]=3 252 B11R0.30 CC(C)CCCNCCC(=O)N 34a_200000737386_100000731001 [1,0,0,0,0,0|2,0,0]=3 253 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000737386_100012276601 [1,0,0,0,0,0|2,0,1]=4 254 B11R0.30 CC(C)CCCNCCC(C)O 2230a_200000755665_100011214892 [1,0,0,0,0,0|2,0,1]=4 255 B11R0.30 CC(C)CCCNCCC(C)O 34a_200000737386_100012276601 [1,0,0,0,0,0|2,0,1]=4 256 B11R0.30 CC(C)CCCNOCC(=O)O 269956a_100000106656_100011214892 [1,0,0,0,0,0|2,0,0]=3 257 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,0,0,0,0,0|2,0,0]=3 258 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,0,0,0,0,0|2,0,0]=3 259 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,0,0,0,0,0|2,0,0]=3 260 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,0,0,0,0,0|2,0,0]=3 261 B11R0.30 CC(C)CCCOCCC(C)O 34a_100000210774_100012276601 [1,0,0,0,0,0|2,0,1]=4 262 B11R0.30 CC(C)CCCOCCC(C)O 7a_100000210774_100012276601 [1,0,0,0,0,0|2,0,1]=4 263 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100000744528_100011214892 [1,0,0,0,0,0|2,0,0]=3 264 B11R0.30 CC(C)CCCSCCC(=O)N 62a_100011214892_100000744528 [1,0,0,0,0,0|2,0,0]=3 265 B11R0.30 CC(C)CCCSCCC(C)O 62a_100011214892_100012276601 [1,0,0,0,0,0|2,0,1]=4 266 B11R0.30 CC(C)CCCSCCC(C)O 62a_100012276601_100011214892 [1,0,0,0,0,0|2,0,1]=4 267 B11R0.30 CC(C)CCNCCCC(=O)N 269862a_100000739312_100000185833 [1,0,0,0,0,0|2,0,0]=3 268 B11R0.30 CC(C)CCNCCCC(=O)N 34a_100000739312_100000210312 [1,0,0,0,0,0|2,0,0]=3 269 B11R0.30 CC(C)CCNCCCS(=O)C 2230a_200000753449_100000210312 [1,0,0,0,0,0|3,0,0]=4 270 B11R0.30 CC(C)CCNCCNC(=O)N 269862a_100020590234_100000185833 [1,0,0,0,0,0|3,0,0]=4 271 B11R0.30 CC(C)CCNCCNC(=O)N 34a_100020590234_100000210312 [1,0,0,0,0,0|3,0,0]=4 272 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,0,0,0,0,0|2,0,0]=3 273 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,0,0,0,0,0|2,0,0]=3 274 B11R0.30 CC(C)CCOCCCC(C)O 34a_100000210254_200000718107 [1,0,0,0,0,0|2,0,1]=4 275 B11R0.30 CC(C)CCOCCCC(C)O 7a_100000210254_200000718107 [1,0,0,0,0,0|2,0,1]=4 276 B11R0.30 CC(C)CCOCCC[N+](=O)[O-] 34a_200000037920_100000210312 [1,0,0,0,0,0|2,0,1]=4 277 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [1,0,0,0,0,0|3,0,0]=4 278 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [1,0,0,0,0,0|3,0,0]=4 279 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [1,0,0,0,0,0|3,0,0]=4 280 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [1,0,0,0,0,0|3,0,0]=4 281 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [1,0,0,0,0,0|3,0,0]=4 282 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100000210312_100102525003 [1,0,0,0,0,0|2,0,0]=3 283 B11R0.30 CC(C)CCSCCCC(=O)N 62a_100102525003_100000210312 [1,0,0,0,0,0|2,0,0]=3 284 B11R0.30 CC(C)CCSCCCC(C)O 62a_100000210312_200000718107 [1,0,0,0,0,0|2,0,1]=4 285 B11R0.30 CC(C)CCSCCCC(C)O 62a_200000718107_100000210312 [1,0,0,0,0,0|2,0,1]=4 286 B11R0.30 CC(C)CCSCCNC(=O)N 62a_100000210312_200000034859 [1,0,0,0,0,0|3,0,0]=4 287 B11R0.30 CC(C)CCSCCNC(=O)N 62a_200000034859_100000210312 [1,0,0,0,0,0|3,0,0]=4 288 B11R0.30 CC(C)CCSCCOC(=O)N 62a_100000210312_200011214921 [1,0,0,0,0,0|3,0,0]=4 289 B11R0.30 CC(C)CCSCCOC(=O)N 62a_200011214921_100000210312 [1,0,0,0,0,0|3,0,0]=4 290 B11R0.30 CC(C)CNCCCCB(O)O 2230a_100000210953_200009817182 [1,0,0,0,0,0|2,0,1]=4 291 B11R0.30 CC(C)CNCCCCB(O)O 34a_100000210953_200009817182 [1,0,0,0,0,0|2,0,1]=4 292 B11R0.30 CC(C)CNCCCCC(=O)N 270004a_100000696515_100000210432 [1,0,0,0,0,0|2,0,0]=3 293 B11R0.30 CC(C)CNCCCCC(=O)N 34a_100000696515_100000210624 [1,0,0,0,0,0|2,0,0]=3 294 B11R0.30 CC(C)CNCCOCC(=O)N 2230a_100000210953_100000076697 [1,0,0,0,0,0|3,0,0]=4 295 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100000210953_100000076697 [1,0,0,0,0,0|3,0,0]=4 296 B11R0.30 CC(C)CNCCOCC(=O)N 34a_100015185251_100000187820 [1,0,0,0,0,0|3,0,0]=4 297 B11R0.30 CC(C)CNCCOCC(=O)O 269956a_100000700818_100000210760 [1,0,0,0,0,0|2,0,0]=3 298 B11R0.30 CC(C)CNCCOCC(=O)[O-] 34a_100015185251_100020667443 [1,0,0,0,0,0|2,0,1]=4 299 B11R0.30 CC(C)COCCCCB(O)O 34a_100000210257_200009817182 [1,0,0,0,0,0|2,0,1]=4 300 B11R0.30 CC(C)COCCCCC(=O)N 34a_100012022536_100000210624 [1,0,0,0,0,0|2,0,0]=3 301 B11R0.30 CC(C)COCCCCC(=O)N 7a_100012022536_100000210760 [1,0,0,0,0,0|2,0,0]=3 302 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 34a_200015379883_100000210624 [1,0,0,0,0,0|2,0,1]=4 303 B11R0.30 CC(C)COCCCC[N+](=O)[O-] 7a_200015379883_100000210760 [1,0,0,0,0,0|2,0,1]=4 304 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000210257_100000076697 [1,0,0,0,0,0|3,0,0]=4 305 B11R0.30 CC(C)COCCOCC(=O)N 34a_100000703358_100000187820 [1,0,0,0,0,0|3,0,0]=4 306 B11R0.30 CC(C)COCCOCC(=O)N 7a_100000703358_100000187820 [1,0,0,0,0,0|3,0,0]=4 307 B11R0.30 CC(C)COCCOCC(=O)[O-] 34a_100000703358_100020667443 [1,0,0,0,0,0|2,0,1]=4 308 B11R0.30 CC(C)CSCCCCB(O)O 62a_100000210624_200009817182 [1,0,0,0,0,0|2,0,1]=4 309 B11R0.30 CC(C)CSCCCCB(O)O 62a_200009817182_100000210760 [1,0,0,0,0,0|2,0,1]=4 310 B11R0.30 CC(C)CSCCOCC(=O)N 34a_200000230437_100000187820 [1,0,0,0,0,0|3,0,0]=4 311 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000076697_100000210760 [1,0,0,0,0,0|3,0,0]=4 312 B11R0.30 CC(C)CSCCOCC(=O)N 62a_100000210624_100000076697 [1,0,0,0,0,0|3,0,0]=4 313 B11R0.30 CC(C)CSCCOCC(=O)N 7a_200000230437_100000187820 [1,0,0,0,0,0|3,0,0]=4 314 B11R0.30 CC(C)CSCCOCC(=O)[O-] 34a_200000230437_100020667443 [1,0,0,0,0,0|2,0,1]=4 315 B11R0.30 CC(C)NCCCCCB(O)O 2230a_100138425928_200009817188 [1,0,0,0,0,0|2,0,1]=4 316 B11R0.30 CC(C)NCCCCCB(O)O 34a_100138425928_200009817188 [1,0,0,0,0,0|2,0,1]=4 317 B11R0.30 CC(C)NCCCCCC(=O)N 2230a_100138425928_100009817443 [1,0,0,0,0,0|2,0,0]=3 318 B11R0.30 CC(C)NCCCCCC(=O)N 34a_100138425928_100009817443 [1,0,0,0,0,0|2,0,0]=3 319 B11R0.30 CC(C)NCCCOCC(=O)N 34a_100000182298_100000187820 [1,0,0,0,0,0|3,0,0]=4 320 B11R0.30 CC(C)NCCCOCC(=O)[O-] 34a_100000182298_100020667443 [1,0,0,0,0,0|2,0,1]=4 321 B11R0.30 CC(C)NCCOCCC(=O)N 34a_100000224655_100000731001 [1,0,0,0,0,0|3,0,0]=4 322 B11R0.30 CC(C)OCCCCCB(O)O 34a_100000212225_200009817188 [1,0,0,0,0,0|2,0,1]=4 323 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000123541_100000210206 [1,0,0,0,0,0|2,0,0]=3 324 B11R0.30 CC(C)OCCCCCC(=O)N 34a_100000212225_100009817443 [1,0,0,0,0,0|2,0,0]=3 325 B11R0.30 CC(C)OCCCCCC(=O)N 7a_100000123541_100000210206 [1,0,0,0,0,0|2,0,0]=3 326 B11R0.30 CC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000210206 [1,0,0,0,0,0|1,0,1]=3 327 B11R0.30 CC(C)OCCCNCC(=O)N 2230a_100000737246_100000747473 [1,0,0,0,0,0|3,0,0]=4 328 B11R0.30 CC(C)OCCCNCC(=O)N 34a_100000737246_100000187820 [1,0,0,0,0,0|3,0,0]=4 329 B11R0.30 CC(C)OCCCNCC(=O)[O-] 34a_100000737246_100020667443 [1,0,0,0,0,0|2,0,1]=4 330 B11R0.30 CC(C)OCCNCCC(=O)N 2230a_100000701111_100000744528 [1,0,0,0,0,0|3,0,0]=4 331 B11R0.30 CC(C)OCCNCCC(=O)N 34a_100000701111_100000731001 [1,0,0,0,0,0|3,0,0]=4 332 B11R0.30 CC(C)OCCNOCC(=O)O 269956a_100000106656_100000211751 [1,0,0,0,0,0|3,0,0]=4 333 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000211219_100000731001 [1,0,0,0,0,0|3,0,0]=4 334 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000757172_100000211751 [1,0,0,0,0,0|3,0,0]=4 335 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000211219_100000744528 [1,0,0,0,0,0|3,0,0]=4 336 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000757172_100000211751 [1,0,0,0,0,0|3,0,0]=4 337 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000211751_100000744528 [1,0,0,0,0,0|3,0,0]=4 338 B11R0.30 CC(C)OCCSCCC(=O)N 62a_100000744528_100000211751 [1,0,0,0,0,0|3,0,0]=4 339 B11R0.30 CC(C)OCNCCCC(=O)N 34a_100000739312_100000709892 [1,0,0,0,0,0|3,0,0]=4 340 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100000709892_100102525003 [1,0,0,0,0,0|3,0,0]=4 341 B11R0.30 CC(C)OCSCCCC(=O)N 62a_100102525003_100000709892 [1,0,0,0,0,0|3,0,0]=4 342 B11R0.30 CC(C)SCCCCCB(O)O 62a_100000210206_200009817188 [1,0,0,0,0,0|2,0,1]=4 343 B11R0.30 CC(C)SCCCCCB(O)O 62a_200009817188_100000210206 [1,0,0,0,0,0|2,0,1]=4 344 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100000210206_100009817443 [1,0,0,0,0,0|2,0,0]=3 345 B11R0.30 CC(C)SCCCCCC(=O)N 62a_100009817443_100000210206 [1,0,0,0,0,0|2,0,0]=3 346 B11R0.30 CC(C)SCCNCCC(=O)N 2230a_100000731138_100000744528 [1,0,0,0,0,0|3,0,0]=4 347 B11R0.30 CC(C)SCCNCCC(=O)N 34a_100000731138_100000731001 [1,0,0,0,0,0|3,0,0]=4 348 B11R0.30 CC(C)SCCNOCC(=O)O 269956a_100000106656_100000730970 [1,0,0,0,0,0|3,0,0]=4 349 B11R0.30 CC(C)SCCOCCC(=O)N 34a_100000757172_100000730970 [1,0,0,0,0,0|3,0,0]=4 350 B11R0.30 CC(C)SCCOCCC(=O)N 34a_200011212901_100000731001 [1,0,0,0,0,0|3,0,0]=4 351 B11R0.30 CC(C)SCCOCCC(=O)N 7a_100000757172_100000730970 [1,0,0,0,0,0|3,0,0]=4 352 B11R0.30 CC(C)SCCOCCC(=O)N 7a_200011212901_100000744528 [1,0,0,0,0,0|3,0,0]=4 353 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000730970_100000744528 [1,0,0,0,0,0|3,0,0]=4 354 B11R0.30 CC(C)SCCSCCC(=O)N 62a_100000744528_100000730970 [1,0,0,0,0,0|3,0,0]=4 355 B11R0.30 CC(O)CCCNOCC(=O)O 269956a_100000106656_200000718107 [1,0,0,0,0,0|3,0,0]=4 356 B11R0.30 CC(O)CCCOCCC(=O)N 34a_100000757172_200000718107 [1,0,0,0,0,0|3,0,0]=4 357 B11R0.30 CC(O)CCCOCCC(=O)N 7a_100000757172_200000718107 [1,0,0,0,0,0|3,0,0]=4 358 B11R0.30 CC(O)CCCSCCC(=O)N 62a_100000744528_200000718107 [1,0,0,0,0,0|3,0,0]=4 359 B11R0.30 CC(O)CCCSCCC(=O)N 62a_200000718107_100000744528 [1,0,0,0,0,0|3,0,0]=4 360 B11R0.30 CC(O)CCNCCCC(=O)N 34a_100000739312_100012276601 [1,0,0,0,0,0|3,0,0]=4 361 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100012276601_100102525003 [1,0,0,0,0,0|3,0,0]=4 362 B11R0.30 CC(O)CCSCCCC(=O)N 62a_100102525003_100012276601 [1,0,0,0,0,0|3,0,0]=4 363 B11R0.30 CC(O)CNCCCCC(=O)N 34a_100000696515_100011218427 [1,0,0,0,0,0|3,0,0]=4 364 B11R0.30 CC(O)CNCCOCC(=O)O 269956a_100000700818_100011218427 [1,0,0,0,0,0|3,0,0]=4 365 B11R0.30 CC(O)COCCCCC(=O)N 34a_100012022536_100011218427 [1,0,0,0,0,0|3,0,0]=4 366 B11R0.30 CC(O)COCCCCC(=O)N 7a_100012022536_100011218427 [1,0,0,0,0,0|3,0,0]=4 367 B11R0.30 CN(C)CCCCCCB(O)O 2230a_100102631434_100009817187 [1,0,0,0,0,0|2,0,1]=4 368 B11R0.30 CN(C)CCCCCCB(O)O 269982a_100102631434_100009817187 [1,0,0,0,0,0|2,0,1]=4 369 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [1,0,0,0,0,0|2,0,0]=3 370 B11R0.30 CN(C)CCCCSCC(=O)N 62a_100000747473_100000690147 [1,0,0,0,0,0|3,0,0]=4 371 B11R0.30 CN(C)CCCCSCC(=O)[O-] 62a_100020667443_100000690147 [1,0,0,0,0,0|2,0,1]=4 372 B11R0.30 CN(C)CCCNOCC(=O)O 269956a_100000106656_100000757444 [1,0,0,0,0,0|3,0,0]=4 373 B11R0.30 CN(C)CCCOCCC(=O)N 7a_100000757172_100000757444 [1,0,0,0,0,0|3,0,0]=4 374 B11R0.30 CN(C)CCCSCCC(=O)N 62a_100000744528_100000757444 [1,0,0,0,0,0|3,0,0]=4 375 B11R0.30 CN(C)CCSCCCC(=O)N 62a_100102525003_100000755713 [1,0,0,0,0,0|3,0,0]=4 376 B11R0.30 C[C@@H](N)CCOCCCC(=O)N 34a_100000706166_100102525003 [1,0,0,0,0,0|3,0,0]=4 377 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 34a_100000696515_100009817552 [1,0,0,0,0,0|3,0,0]=4 378 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 269956a_100000700818_100009817552 [1,0,0,0,0,0|3,0,0]=4 379 B11R0.30 C[C@@H](O)COCCCCC(=O)N 34a_100012022536_100009817552 [1,0,0,0,0,0|3,0,0]=4 380 B11R0.30 C[C@@H](O)COCCCCC(=O)N 7a_100012022536_100009817552 [1,0,0,0,0,0|3,0,0]=4 381 B11R0.46 C=C(C)CCC(C)NCCCC 270004a_100000102301_100011215600 [1,0,0,0,0,0|3,0,0]=4 382 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [1,0,0,0,0,0|3,0,0]=4 383 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [1,0,0,0,0,0|3,0,0]=4 384 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [1,0,0,0,0,0|3,0,0]=4 385 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [1,0,0,0,0,0|3,0,0]=4 386 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [1,0,0,0,0,0|3,0,0]=4 387 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [1,0,0,0,0,0|3,0,0]=4 388 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [1,0,0,0,0,0|3,0,0]=4 389 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [1,0,0,0,0,0|3,0,0]=4 390 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [1,0,0,0,0,0|3,0,0]=4 391 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [1,0,0,0,0,0|3,0,0]=4 392 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [1,0,0,0,0,0|3,0,0]=4 393 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [1,0,0,0,0,0|3,0,0]=4 394 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [1,0,0,0,0,0|3,0,0]=4 395 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [1,0,0,0,0,0|3,0,0]=4 396 B11R0.46 CC(=O)CCN(C)CCCCO 269982a_100000717598_100000053229 [1,0,0,0,0,0|3,0,0]=4 397 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,0,0,0,0,0|2,0,1]=4 398 B11R0.46 CCCCCC(C)CCC(=O)C 1458a_100000034243_200000210301 [1,0,0,0,0,0|1,0,0]=2 399 B11R0.46 CCCCCC(C)CCC(=O)[13CH3] 1458a_100000034243_200025704644 [1,0,0,0,0,0|1,0,0]=2 400 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000211957_100000747473 [1,0,0,0,0,0|2,0,0]=3 401 B11R0.46 CCCCCC(C)NCC(=O)N 2230a_100000711301_200011218191 [1,0,0,0,0,0|2,0,0]=3 402 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,0,0,0,0,0|1,0,0]=2 403 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [1,0,0,0,0,0|2,0,1]=4 404 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [1,0,0,0,0,0|2,0,1]=4 405 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [1,0,0,0,0,0|2,0,1]=4 406 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [1,0,0,0,0,0|2,0,1]=4 407 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [1,0,0,0,0,0|2,0,1]=4 408 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [1,0,0,0,0,0|2,0,0]=3 409 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [1,0,0,0,0,0|2,0,0]=3 410 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [1,0,0,0,0,0|2,0,0]=3 411 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [1,0,0,0,0,0|1,0,1]=3 412 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [1,0,0,0,0,0|2,0,1]=4 413 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [1,0,0,0,0,0|2,0,1]=4 414 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [1,0,0,0,0,0|2,0,1]=4 415 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [1,0,0,0,0,0|2,0,1]=4 416 B11R0.46 CCCCCC(C)OC[N+](=O)[O-] 34a_100011215632_100000761209 [1,0,0,0,0,0|2,0,1]=4 417 B11R0.46 CCCCCC(C)SCC(=O)N 62a_100000747473_200011218191 [1,0,0,0,0,0|2,0,0]=3 418 B11R0.46 CCCCCC(C)SCC(=O)N 62a_200011218191_100000747473 [1,0,0,0,0,0|2,0,0]=3 419 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011218191 [1,0,0,0,0,0|1,0,1]=3 420 B11R0.46 CCCCCC(C)SCC(=O)[O-] 62a_200011218191_100020667443 [1,0,0,0,0,0|1,0,1]=3 421 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [1,0,0,0,0,0|2,0,1]=4 422 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [1,0,0,0,0,0|2,0,1]=4 423 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [1,0,0,0,0,0|2,0,1]=4 424 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [1,0,0,0,0,0|2,0,1]=4 425 B11R0.46 CCCCCC(C)SC[N+](=O)[O-] 62a_200011218191_100000761209 [1,0,0,0,0,0|2,0,1]=4 426 B11R0.46 CCCCCN(C)CCC(=O)C 1458a_100016987678_200000210301 [1,0,0,0,0,0|2,0,0]=3 427 B11R0.46 CCCCCN(C)CCC(=O)C 269982a_100000223495_100000053229 [1,0,0,0,0,0|2,0,0]=3 428 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000223495_100000744528 [1,0,0,0,0,0|2,0,0]=3 429 B11R0.46 CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210326 [1,0,0,0,0,0|2,0,0]=3 430 B11R0.46 CCCCCN(C)CCC(=O)N 269982a_100000223495_100000744528 [1,0,0,0,0,0|2,0,0]=3 431 B11R0.46 CCCCCN(C)CCC(=O)[13CH3] 1458a_100016987678_200025704644 [1,0,0,0,0,0|2,0,0]=3 432 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [1,0,0,0,0,0|2,0,1]=4 433 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [1,0,0,0,0,0|2,0,1]=4 434 B11R0.46 CCCCCN(C)COC(=O)C 269982a_100000223495_100000076356 [1,0,0,0,0,0|3,0,0]=4 435 B11R0.46 CCCCNC(C)COC(=O)C 270004a_100000102301_100000000629 [1,0,0,0,0,0|3,0,0]=4 436 B11R0.46 CCCOCC(C)CSC(=O)C 34a_100000210258_200000116872 [1,0,0,0,0,0|3,0,0]=4 437 B11R0.46 CCCSCC(C)CSC(=O)C 62a_100000210303_200000116872 [1,0,0,0,0,0|3,0,0]=4 438 B11R0.46 CCCSCC(C)CSC(=O)C 62a_200000116872_100000210303 [1,0,0,0,0,0|3,0,0]=4 439 B11R0.46 CCOCCN(C)CCC(=O)N 2230a_100000730477_100011215890 [1,0,0,0,0,0|3,0,0]=4 440 B11R0.46 CCSCCN(C)CCC(=O)N 2230a_100000730477_100000757381 [1,0,0,0,0,0|3,0,0]=4 441 B11R0.46 CN(CCCCF)CCC(=O)N 2230a_100000730477_100000729493 [1,0,0,0,0,0|3,0,0]=4 442 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000717598_100000744528 [1,0,0,0,0,0|3,0,0]=4 443 B11R0.46 CN(CCCCO)CCC(=O)N 2230a_100000730477_100000210776 [1,0,0,0,0,0|3,0,0]=4 444 B11R0.46 CN(CCCCO)CCC(=O)N 269982a_100000717598_100000744528 [1,0,0,0,0,0|3,0,0]=4 445 B11R0.46 COCCCC(C)OCC(=O)N 34a_200011539412_100000187820 [1,0,0,0,0,0|3,0,0]=4 446 B11R0.46 COCCCC(C)OCC(=O)N 7a_200011539412_100000187820 [1,0,0,0,0,0|3,0,0]=4 447 B11R0.46 COCCCC(C)OCC(=O)[O-] 34a_200011539412_100020667443 [1,0,0,0,0,0|2,0,1]=4 448 B11R0.46 COCCCN(C)CCC(=O)C 269982a_100000224831_100000053229 [1,0,0,0,0,0|3,0,0]=4 449 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000224831_100000744528 [1,0,0,0,0,0|3,0,0]=4 450 B11R0.46 COCCCN(C)CCC(=O)N 2230a_100000730477_100000740836 [1,0,0,0,0,0|3,0,0]=4 451 B11R0.46 COCCCN(C)CCC(=O)N 269982a_100000224831_100000744528 [1,0,0,0,0,0|3,0,0]=4 452 B11R0.147 C#CCNC(C)CCCC(C)C 2230a_100000210607_100000038162 [1,0,0,0,0,0|2,0,1]=4 453 B11R0.147 C#CCOC(C)CCCC(C)C 34a_200011218570_100000184674 [1,0,0,0,0,0|2,0,1]=4 454 B11R0.147 C#CCOC(C)CCCC(C)C 7a_200011218570_100000038162 [1,0,0,0,0,0|2,0,1]=4 455 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [1,0,0,0,0,0|2,0,1]=4 456 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [1,0,0,0,0,0|2,0,1]=4 457 B11R0.147 C=CCCC(C)NCCC(C)C 270004a_100000210545_100000762624 [1,0,0,0,0,0|2,0,0]=3 458 B11R0.147 C=CCCC(C)NCCC(C)O 270004a_200000755665_100000762624 [1,0,0,0,0,0|3,0,0]=4 459 B11R0.147 C=CCCC(C)NCCN(C)C 270004a_100000210585_100000762624 [1,0,0,0,0,0|3,0,0]=4 460 B11R0.147 C=CCCC(C)OCCC(C)C 34a_100000765329_100000210312 [1,0,0,0,0,0|2,0,0]=3 461 B11R0.147 C=CCCC(C)OCCC(C)C 7a_100000765329_100000210626 [1,0,0,0,0,0|2,0,0]=3 462 B11R0.147 C=CCCC(C)OCCC(C)O 34a_100000765329_100012276601 [1,0,0,0,0,0|3,0,0]=4 463 B11R0.147 C=CCCC(C)OCCC(C)O 7a_100000765329_100012276601 [1,0,0,0,0,0|3,0,0]=4 464 B11R0.147 C=CCCC(C)OCCN(C)C 7a_100000765329_100000755713 [1,0,0,0,0,0|3,0,0]=4 465 B11R0.147 C=CCCC(C)OCOC(C)C 34a_100000765329_100000709892 [1,0,0,0,0,0|3,0,0]=4 466 B11R0.147 C=CCCN(C)CCCC(C)C 2230a_100020639649_100011214892 [1,0,0,0,0,0|2,0,0]=3 467 B11R0.147 C=CCCN(C)CCCC(C)C 269982a_100020639649_100011214892 [1,0,0,0,0,0|2,0,0]=3 468 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [1,0,0,0,0,0|3,0,0]=4 469 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [1,0,0,0,0,0|3,0,0]=4 470 B11R0.147 C=CCCN(C)CCCN(C)C 269982a_100000225831_100000754431 [1,0,0,0,0,0|3,0,0]=4 471 B11R0.147 C=CCCN(C)CCCN(C)C 269982a_100020639649_100000757444 [1,0,0,0,0,0|3,0,0]=4 472 B11R0.147 C=CCCN(C)CCOC(C)C 2230a_100020639649_100000211751 [1,0,0,0,0,0|3,0,0]=4 473 B11R0.147 C=CCCN(C)CCOC(C)C 269982a_100020639649_100000211751 [1,0,0,0,0,0|3,0,0]=4 474 B11R0.147 C=CCCN(C)CCSC(C)C 2230a_100020639649_100000730970 [1,0,0,0,0,0|3,0,0]=4 475 B11R0.147 C=CCCN(C)CCSC(C)C 269982a_100020639649_100000730970 [1,0,0,0,0,0|3,0,0]=4 476 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [1,0,0,0,0,0|2,0,0]=3 477 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [1,0,0,0,0,0|2,0,0]=3 478 B11R0.147 C=CCNC(C)CCOC(C)C 270004a_100020586998_200011219172 [1,0,0,0,0,0|3,0,0]=4 479 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [1,0,0,0,0,0|2,0,0]=3 480 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [1,0,0,0,0,0|2,0,0]=3 481 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [1,0,0,0,0,0|1,0,2]=4 482 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [1,0,0,0,0,0|1,0,2]=4 483 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [1,0,0,0,0,0|1,0,2]=4 484 B11R0.147 CC(C)CCCC(C)CCN[13CH3] 2230a_102516457229_200025704644 [1,0,0,0,0,0|2,0,0]=3 485 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 34a_100000015991_200025704644 [1,0,0,0,0,0|2,0,0]=3 486 B11R0.147 CC(C)CCCC(C)CCO[13CH3] 7a_100000015991_200025704644 [1,0,0,0,0,0|2,0,0]=3 487 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_100009816328_200025704644 [1,0,0,0,0,0|2,0,0]=3 488 B11R0.147 CC(C)CCCC(C)CCS[13CH3] 62a_200025704644_100009816328 [1,0,0,0,0,0|2,0,0]=3 489 B11R0.147 CC(C)CCCC(C)NCC#N 2230a_100000210607_100011215382 [1,0,0,0,0,0|2,0,1]=4 490 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [1,0,0,0,0,0|1,0,0]=2 491 B11R0.147 CC(C)CCCC(C)NCCF 2230a_100000210607_100011217306 [1,0,0,0,0,0|2,0,1]=4 492 B11R0.147 CC(C)CCCC(C)NCCO 2230a_100000210607_100000211926 [1,0,0,0,0,0|1,0,1]=3 493 B11R0.147 CC(C)CCCC(C)NCCO 270004a_100000210304_100000753411 [1,0,0,0,0,0|1,0,1]=3 494 B11R0.147 CC(C)CCCC(C)OCC#N 7a_200011218570_100011215382 [1,0,0,0,0,0|2,0,1]=4 495 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [1,0,0,0,0,0|1,0,0]=2 496 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [1,0,0,0,0,0|1,0,0]=2 497 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [1,0,0,0,0,0|2,0,1]=4 498 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [1,0,0,0,0,0|2,0,1]=4 499 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [1,0,0,0,0,0|1,0,1]=3 500 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [1,0,0,0,0,0|1,0,1]=3 501 B11R0.147 CC(C)CCCN(C)CCC#N 2230a_100000184479_100011214892 [1,0,0,0,0,0|2,0,1]=4 502 B11R0.147 CC(C)CCCN(C)CCCO 2230a_100000213112_100011214892 [1,0,0,0,0,0|1,0,1]=3 503 B11R0.147 CC(C)CCCN(C)CCCO 269982a_100000213112_100011214892 [1,0,0,0,0,0|1,0,1]=3 504 B11R0.147 CC(C)CCOC(C)CCCCl 34a_200000718107_100000210312 [1,0,0,0,0,0|2,0,1]=4 505 B11R0.147 CC(C)CCOC(C)CCCCl 7a_200000718107_100000210626 [1,0,0,0,0,0|2,0,1]=4 506 B11R0.147 CC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000210760 [1,0,0,0,0,0|1,0,1]=3 507 B11R0.147 CC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000210432 [1,0,0,0,0,0|1,0,1]=3 508 B11R0.147 CC(C)CNC[C@H](C)CCCO 34a_100160569302_100000210624 [1,0,0,0,0,0|1,0,1]=3 509 B11R0.147 CC(C)OCCN(C)CCCO 2230a_100000213112_100000211751 [1,0,0,0,0,0|2,0,1]=4 510 B11R0.147 CC(C)OCCN(C)CCCO 269982a_100000213112_100000211751 [1,0,0,0,0,0|2,0,1]=4 511 B11R0.147 CC(C)SCCN(C)CCCO 2230a_100000213112_100000730970 [1,0,0,0,0,0|2,0,1]=4 512 B11R0.147 CC(C)SCCN(C)CCCO 269982a_100000213112_100000730970 [1,0,0,0,0,0|2,0,1]=4 513 B11R0.147 CC(CCOC(C)C)NCCO 270004a_100000210304_200011219172 [1,0,0,0,0,0|2,0,1]=4 514 B11R0.147 CC(O)CCCN(C)CCCO 2230a_100000213112_200000718107 [1,0,0,0,0,0|2,0,1]=4 515 B11R0.147 CC(O)CCCN(C)CCCO 269982a_100000213112_200000718107 [1,0,0,0,0,0|2,0,1]=4 516 B11R0.147 CC(O)CNC[C@H](C)CCCO 2230a_100160569302_100011218427 [1,0,0,0,0,0|2,0,1]=4 517 B11R0.147 CC(O)CNC[C@H](C)CCCO 34a_100160569302_100011218427 [1,0,0,0,0,0|2,0,1]=4 518 B11R0.147 CCCCC(C)COCC(C)C 34a_100011995851_100000210624 [1,0,0,0,0,0|2,0,1]=4 519 B11R0.147 CCCCC(C)COCC(C)C 7a_100011995851_100000210760 [1,0,0,0,0,0|2,0,1]=4 520 B11R0.147 CCCCC(C)NCCC(C)C 2230a_100000126638_100000210312 [1,0,0,0,0,0|2,0,1]=4 521 B11R0.147 CCCCC(C)NCCC(C)C 269862a_100000126638_100000185833 [1,0,0,0,0,0|2,0,1]=4 522 B11R0.147 CCCCC(C)NCCC(C)C 270004a_100000210545_100000210087 [1,0,0,0,0,0|2,0,1]=4 523 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000210254_200011215066 [1,0,0,0,0,0|2,0,1]=4 524 B11R0.147 CCCCC(C)OCCC(C)C 34a_100000687866_100000210312 [1,0,0,0,0,0|2,0,1]=4 525 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000210254_200011215066 [1,0,0,0,0,0|2,0,1]=4 526 B11R0.147 CCCCC(C)OCCC(C)C 7a_100000687866_100000210626 [1,0,0,0,0,0|2,0,1]=4 527 B11R0.147 CCCCC(C)SCCC(C)C 62a_100000210312_200011215066 [1,0,0,0,0,0|2,0,1]=4 528 B11R0.147 CCCCC(C)SCCC(C)C 62a_200011215066_100000210312 [1,0,0,0,0,0|2,0,1]=4 529 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [1,0,0,0,0,0|2,0,1]=4 530 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [1,0,0,0,0,0|2,0,1]=4 531 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [1,0,0,0,0,0|2,0,1]=4 532 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [1,0,0,0,0,0|2,0,1]=4 533 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [1,0,0,0,0,0|2,0,1]=4 534 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [1,0,0,0,0,0|2,0,1]=4 535 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000213112_100000757444 [1,0,0,0,0,0|2,0,1]=4 536 B11R0.147 CN(C)CCCN(C)CCCO 269982a_100000225831_100011215043 [1,0,0,0,0,0|2,0,1]=4 537 B11R0.147 CNCCC(C)CCCC(C)C 2230a_102516457229_200000210301 [1,0,0,0,0,0|2,0,0]=3 538 B11R0.147 CNCCC(C)CCCC(C)C 2230a_106832991635_100009816328 [1,0,0,0,0,0|2,0,0]=3 539 B11R0.147 CNCCC(C)CCCC(C)C 34a_100102657272_100009816328 [1,0,0,0,0,0|2,0,0]=3 540 B11R0.147 CNCCC(C)CCCC(C)C 7a_106832991635_100009816328 [1,0,0,0,0,0|2,0,0]=3 541 B11R0.147 COCCC(C)CCCC(C)C 34a_100000015991_200000210301 [1,0,0,0,0,0|2,0,0]=3 542 B11R0.147 COCCC(C)CCCC(C)C 34a_100138415774_100009816328 [1,0,0,0,0,0|2,0,0]=3 543 B11R0.147 COCCC(C)CCCC(C)C 7a_100000015991_200000210301 [1,0,0,0,0,0|2,0,0]=3 544 B11R0.147 COCCC(C)NCCC(C)C 270004a_100000210545_100000742357 [1,0,0,0,0,0|3,0,0]=4 545 B11R0.147 COCCN(C)CCCC(C)C 2230a_100000743101_100011214892 [1,0,0,0,0,0|3,0,0]=4 546 B11R0.147 COCCN(C)CCCC(C)C 269982a_100000743101_100011214892 [1,0,0,0,0,0|3,0,0]=4 547 B11R0.147 COCNC(C)CCCC(C)C 2230a_100000210607_100000766300 [1,0,0,0,0,0|3,0,0]=4 548 B11R0.147 CSCCC(C)CCCC(C)C 62a_100009816328_200000210301 [1,0,0,0,0,0|2,0,0]=3 549 B11R0.147 CSCCC(C)CCCC(C)C 62a_200000210301_100009816328 [1,0,0,0,0,0|2,0,0]=3 550 B11R0.147 CSCCC(C)NCCC(C)C 270004a_100000210545_100011217047 [1,0,0,0,0,0|3,0,0]=4 551 B11R0.147 CSCCN(C)CCCC(C)C 2230a_100000686725_100011214892 [1,0,0,0,0,0|3,0,0]=4 552 B11R0.147 CSCCN(C)CCCC(C)C 269982a_100000686725_100011214892 [1,0,0,0,0,0|3,0,0]=4 553 B11R0.147 CSCNC(C)CCCC(C)C 2230a_100000210607_100011218213 [1,0,0,0,0,0|3,0,0]=4 554 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [1,0,0,0,0,0|3,0,0]=4 555 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 2230a_100160569302_100009817552 [1,0,0,0,0,0|2,0,1]=4 556 B11R0.147 C[C@H](CCCO)CNC[C@@H](C)O 34a_100160569302_100009817552 [1,0,0,0,0,0|2,0,1]=4 557 B13R0.51 C=C(C)CCC(C)NCC(O)C(C)C 270004a_100000759067_100011215600 [0,1,0,0,0,0|3,0,0]=4 558 B13R0.51 CC(=O)OCC(C)NCC(O)C(C)C 270004a_100000759067_100000000629 [0,1,0,0,0,0|3,0,0]=4 559 B13R0.51 CC(=O)SCC(C)CNC(C)C(C)C 2230a_100000211541_200000116872 [0,1,0,0,0,0|3,0,0]=4 560 B13R0.51 CC(=O)SCC(C)COC(C)C(C)C 7a_100000748068_200000116872 [0,1,0,0,0,0|3,0,0]=4 561 B13R0.208 C=C(C)CCC(C)NCCC(C)CC 270004a_100020591266_100011215600 [0,1,0,0,0,0|3,0,0]=4 562 B13R0.208 C=C(C)CCC(C)NCCC(C)CO 270004a_106354213184_100011215600 [0,1,0,0,0,0|3,0,0]=4 563 B13R0.208 CC(=O)OCC(C)NCCC(C)CO 270004a_106354213184_100000000629 [0,1,0,0,0,0|3,0,0]=4 564 B13R0.208 CC(=O)SCC(C)CNCC(C)CO 34a_100000744482_200000116872 [0,1,0,0,0,0|3,0,0]=4 565 B13R0.208 CC(=O)SCC(C)COCC(C)CN 34a_100000744482_200000116872 [0,1,0,0,0,0|3,0,0]=4 566 B13R0.208 CC(=O)SCC(C)CSC[C@@H](C)CO 62a_100000059175_200000116872 [0,1,0,0,0,0|3,0,0]=4 567 B13R0.208 CC(=O)SCC(C)CSC[C@@H](C)CO 62a_200000116872_100000059175 [0,1,0,0,0,0|3,0,0]=4 568 B13R0.208 CCC(C)CCNC(C)COC(=O)C 270004a_100020591266_100000000629 [0,1,0,0,0,0|3,0,0]=4 569 B13R0.208 CCC(C)CNCC(C)CSC(=O)C 2230a_100020588543_200000116872 [0,1,0,0,0,0|3,0,0]=4 570 B13R0.208 CCC(C)CSCC(C)CSC(=O)C 62a_100000748023_200000116872 [0,1,0,0,0,0|3,0,0]=4 571 B13R0.208 CCC(C)CSCC(C)CSC(=O)C 62a_200000116872_100000748023 [0,1,0,0,0,0|3,0,0]=4 572 B13R0.208 CCN(C)CCCN(C)CCC(=O)N 2230a_100000730477_100015186262 [0,1,0,0,0,0|3,0,0]=4 573 B13R0.208 CC[C@H](C)COCC(C)CSC(=O)C 7a_100009816381_200000116872 [0,1,0,0,0,0|3,0,0]=4 574 B13R0.208 CC[C@H](C)CSCC(C)CSC(=O)C 62a_100009816398_200000116872 [0,1,0,0,0,0|3,0,0]=4 575 B13R0.208 CC[C@H](C)CSCC(C)CSC(=O)C 62a_200000116872_100009816398 [0,1,0,0,0,0|3,0,0]=4 576 B13R0.208 COC(C)COCC(C)CSC(=O)C 34a_100000690652_200000116872 [0,1,0,0,0,0|3,0,0]=4 577 B13R0.208 CO[C@H](C)CNCC(C)CSC(=O)C 2230a_100020591295_200000116872 [0,1,0,0,0,0|3,0,0]=4 578 B13R0.349 C=C(C)CCC(C)N(C)CCC(C)C 270004a_100000742789_100011215600 [0,1,0,0,0,0|3,0,0]=4 579 B13R0.349 CC(=O)OCC(C)N(C)CCC(C)C 270004a_100000742789_100000000629 [0,1,0,0,0,0|3,0,0]=4 580 B13R0.349 CC(=O)SC[C@@H](C)C(=O)CCC(C)C 1458a_200015407212_100000210312 [0,1,0,0,0,0|2,0,1]=4 581 B13R0.349 CC(C)CCC(=O)N(C)CCC(=O)N 11a_100000730477_100000181311 [0,1,0,0,0,0|2,0,1]=4 582 B13R0.349 CC(C)CCC(=O)N(C)CCC(=O)N 240690a_100000730477_100000181311 [0,1,0,0,0,0|2,0,1]=4 583 B13R0.349 CC(C)CCC(=O)N(C)CCC(=O)N 527a_100000730477_100000181311 [0,1,0,0,0,0|2,0,1]=4 584 B13R0.349 CC(C)CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100011261404 [0,1,0,0,0,0|2,0,1]=4 585 B13R0.349 CC(C)CCC(C)N(C)CCC(=O)N 2230a_100000730477_100011261404 [0,1,0,0,0,0|2,0,0]=3 586 B13R0.349 CC(C)CCC(C)N(C)CCC(=O)N 270004a_100000730477_100000210476 [0,1,0,0,0,0|2,0,0]=3 587 B13R0.349 CC(C)CNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000230289 [0,1,0,0,0,0|2,0,1]=4 588 B13R0.351 C=C(C)CCC(C)NCCC(C)(C)C 270004a_100000738805_100011215600 [0,1,0,0,0,0|3,0,0]=4 589 B13R0.351 C=C(C)CCC(C)NCCC(C)(C)F 270004a_100016253952_100011215600 [0,1,0,0,0,0|3,0,0]=4 590 B13R0.351 C=C(C)CCC(C)NCCC(C)(C)O 270004a_100000707701_100011215600 [0,1,0,0,0,0|3,0,0]=4 591 B13R0.351 CC(=O)CCN(C)CCOC(C)(C)C 269982a_100000690421_100000053229 [0,1,0,0,0,0|3,0,0]=4 592 B13R0.351 CC(=O)OCC(C)NCCC(C)(C)C 270004a_100000738805_100000000629 [0,1,0,0,0,0|3,0,0]=4 593 B13R0.351 CC(=O)OCC(C)NCCC(C)(C)F 270004a_100016253952_100000000629 [0,1,0,0,0,0|3,0,0]=4 594 B13R0.351 CC(=O)OCC(C)NCCC(C)(C)O 270004a_100000707701_100000000629 [0,1,0,0,0,0|3,0,0]=4 595 B13R0.351 CC(=O)SCC(C)CNCC(C)(C)C 2230a_100000743828_200000116872 [0,1,0,0,0,0|3,0,0]=4 596 B13R0.351 CC(=O)SCC(C)CNCC(C)(C)F 2230a_100020643315_200000116872 [0,1,0,0,0,0|3,0,0]=4 597 B13R0.351 CC(=O)SCC(C)CNCC(C)(C)O 2230a_100000751335_200000116872 [0,1,0,0,0,0|3,0,0]=4 598 B13R0.351 CC(=O)SCC(C)COCC(C)(C)F 34a_100000716592_200000116872 [0,1,0,0,0,0|3,0,0]=4 599 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)C 62a_100011219605_200000116872 [0,1,0,0,0,0|3,0,0]=4 600 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)C 62a_200000116872_100011219605 [0,1,0,0,0,0|3,0,0]=4 601 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)F 62a_100011997219_200000116872 [0,1,0,0,0,0|3,0,0]=4 602 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)F 62a_200000116872_100011997219 [0,1,0,0,0,0|3,0,0]=4 603 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)O 62a_100000764493_200000116872 [0,1,0,0,0,0|3,0,0]=4 604 B13R0.351 CC(=O)SCC(C)CSCC(C)(C)O 62a_200000116872_100000764493 [0,1,0,0,0,0|3,0,0]=4 605 B13R0.351 CN(CCCC(C)(C)O)CCC(=O)N 2230a_100000730477_100009888830 [0,1,0,0,0,0|2,0,0]=3 606 B13R0.351 CN(CCC[N+](C)(C)C)CCC(=O)N 2230a_100000730477_100016990835 [0,1,0,0,0,0|3,0,0]=4 607 B13R0.351 CN(CCC[Si](C)(C)C)CCC(=O)N 2230a_100000730477_100011219597 [0,1,0,0,0,0|2,1,0]=4 608 B13R0.351 CN(CCOC(C)(C)C)CCC(=O)N 2230a_100000690421_100000744528 [0,1,0,0,0,0|3,0,0]=4 609 B13R0.351 CN(CCOC(C)(C)C)CCC(=O)N 269982a_100000690421_100000744528 [0,1,0,0,0,0|3,0,0]=4 610 B13R0.444 C=C(C)C(C)NC(C)CCCC(C)C 269862a_100000210607_100011216138 [0,1,0,0,0,0|3,0,0]=4 611 B13R0.444 CC(=O)C(C)NC(C)CCCC(C)C 2230a_100000210607_100009814033 [0,1,0,0,0,0|2,0,0]=3 612 B13R0.444 CC(=O)C(C)OC(C)CCCC(C)C 7a_200011218570_100000179758 [0,1,0,0,0,0|2,0,0]=3 613 B13R0.444 CC(C)CCCC(C)NC(=O)C(=O)N 240690a_100000210607_100011215815 [0,1,0,0,0,0|2,0,1]=4 614 B13R0.444 CC(C)CCCC(C)NC(C)C(=O)N 2230a_100000210607_100000702099 [0,1,0,0,0,0|2,0,0]=3 615 B13R0.444 CC(C)CCCC(C)NC(F)C(=O)N 2230a_100000210607_100009813875 [0,1,0,0,0,0|2,0,0]=3 616 B13R0.444 CC(C)CCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000753411 [0,1,0,0,0,0|2,0,0]=3 617 B13R0.444 CC(C)CCCC(C)OC(C)C(=O)N 34a_200011218570_100000702099 [0,1,0,0,0,0|2,0,0]=3 618 B13R0.444 CC(C)CCCC(C)OC(C)C(=O)N 7a_200011218570_100000702099 [0,1,0,0,0,0|2,0,0]=3 619 B13R0.444 CC(C)CCCC(C)OC(F)C(=O)N 34a_200011218570_100009813875 [0,1,0,0,0,0|2,0,0]=3 620 B13R0.444 CC(C)CCCC(C)OC(F)C(=O)N 7a_200011218570_100009813875 [0,1,0,0,0,0|2,0,0]=3 621 B13R0.444 CC(C)CCCC(C)OC(F)C(=O)[O-] 34a_200011218570_100020610796 [0,1,0,0,0,0|1,0,1]=3 622 B13R0.444 CC(CCOC(C)C)N[C@H](C)C(=O)N 270004a_100000119354_200011219172 [0,1,0,0,0,0|3,0,0]=4 623 B13R0.493 C#CC(=O)CCC(C)CCC=C(C)C 1458a_100000211873_100009814015 [0,1,0,0,0,0|1,0,2]=4 624 B13R0.493 C#CC(=O)CCC(C)CCCC(C)C 1458a_100000211873_100009816328 [0,1,0,0,0,0|1,0,0]=2 625 B13R0.493 C=C(C#N)CNC(C)CCCC(C)C 2230a_100000210607_100000694840 [0,1,0,0,0,0|3,0,0]=4 626 B13R0.493 C=C(C#N)COC(C)CCCC(C)C 34a_200011218570_100000694840 [0,1,0,0,0,0|3,0,0]=4 627 B13R0.493 C=CC(=O)CCC(C)CCC=C(C)C 1458a_100000185746_100009814015 [0,1,0,0,0,0|1,0,2]=4 628 B13R0.493 C=CC(=O)CCC(C)CCCC(C)C 1458a_100000185746_100009816328 [0,1,0,0,0,0|1,0,0]=2 629 B13R0.493 C=CC(O)CNC(C)CCCC(C)C 2230a_100000210607_100000730141 [0,1,0,0,0,0|2,0,1]=4 630 B13R0.493 C=CC(O)COC(C)CCCC(C)C 34a_200011218570_100000730141 [0,1,0,0,0,0|2,0,1]=4 631 B13R0.493 C=CC(O)COC(C)CCCC(C)C 7a_200011218570_100000730141 [0,1,0,0,0,0|2,0,1]=4 632 B13R0.493 CC(=CCCC(C)CCC(=O)CO)C 1458a_100000210174_100009814015 [0,1,0,0,0,0|0,0,2]=3 633 B13R0.493 CC(C)CCCC(C)CCC(=O)CO 1458a_100000210174_100009816328 [0,1,0,0,0,0|0,0,0]=1 634 B13R0.493 CC(C)CCCC(C)NCC(O)CO 2230a_100000210607_100011219619 [0,1,0,0,0,0|1,0,2]=4 635 B13R0.493 CC(C)CCCC(C)NC[C@@H](C)CO 2230a_100000210607_100000059175 [0,1,0,0,0,0|2,0,1]=4 636 B13R0.493 CC(C)CCCC(C)NC[C@@H](F)CO 270004a_100015665980_100000753411 [0,1,0,0,0,0|2,0,1]=4 637 B13R0.493 CC(C)CCCC(C)NC[C@@H](O)CF 2230a_100000210607_100015614560 [0,1,0,0,0,0|2,0,1]=4 638 B13R0.493 CC(C)CCCC(C)NC[C@@H](O)CO 2230a_100000210607_100009815848 [0,1,0,0,0,0|1,0,2]=4 639 B13R0.493 CC(C)CCCC(C)OCC(O)CO 34a_200011218570_100011219619 [0,1,0,0,0,0|1,0,2]=4 640 B13R0.493 CC(C)CCCC(C)OCC(O)CO 7a_200011218570_100011219619 [0,1,0,0,0,0|1,0,2]=4 641 B13R0.493 CC(C)CCCC(C)OC[C@@H](C)CO 34a_200011218570_100000059175 [0,1,0,0,0,0|2,0,1]=4 642 B13R0.493 CC(C)CCCC(C)OC[C@@H](C)CO 7a_200011218570_100000059175 [0,1,0,0,0,0|2,0,1]=4 643 B13R0.493 CC(C)CCCC(C)OC[C@@H](O)CF 34a_200011218570_100015614560 [0,1,0,0,0,0|2,0,1]=4 644 B13R0.493 CC(C)CCCC(C)OC[C@@H](O)CF 7a_200011218570_100015614560 [0,1,0,0,0,0|2,0,1]=4 645 B13R0.493 CC(C)CCCC(C)OC[C@@H](O)CO 34a_200011218570_100009815848 [0,1,0,0,0,0|1,0,2]=4 646 B13R0.493 CC(C)CCCC(C)OC[C@@H](O)CO 7a_200011218570_100009815848 [0,1,0,0,0,0|1,0,2]=4 647 B13R0.493 CCC(=O)CCC(C)CCC=C(C)C 1458a_100000210414_100009814015 [0,1,0,0,0,0|1,0,2]=4 648 B13R0.493 CCC(=O)CCC(C)CCCC(C)C 1458a_100000210414_100009816328 [0,1,0,0,0,0|1,0,0]=2 649 B13R0.493 CCC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747405 [0,1,0,0,0,0|2,0,0]=3 650 B13R0.493 CCC(O)CNC(C)CCCC(C)C 2230a_100000210607_100011218378 [0,1,0,0,0,0|2,0,1]=4 651 B13R0.493 CCC(O)CNC(C)CCCC(C)C 270004a_100011218483_100000753411 [0,1,0,0,0,0|2,0,1]=4 652 B13R0.493 CCC(O)COC(C)CCCC(C)C 34a_200011218570_100011218378 [0,1,0,0,0,0|2,0,1]=4 653 B13R0.493 CCC(O)COC(C)CCCC(C)C 7a_200011218570_100011218378 [0,1,0,0,0,0|2,0,1]=4 654 B13R0.493 CCN(C)CCC(C)CCCC(C)C 2230a_100000225621_100009816328 [0,1,0,0,0,0|3,0,0]=4 655 B13R0.493 CCN(C)CCC(C)CCCC(C)C 269982a_100000225621_100009816328 [0,1,0,0,0,0|3,0,0]=4 656 B13R0.493 CNC(=O)CCC(=O)CCCC(C)C 1458a_100011309844_100011214892 [0,1,0,0,0,0|2,0,1]=4 657 B13R0.493 CNC(=O)CCN(C)CCCC(C)C 2230a_100000750875_100011214892 [0,1,0,0,0,0|2,0,0]=3 658 B13R0.493 CNC(=O)CCN(C)CCCC(C)C 269982a_100000750875_100011214892 [0,1,0,0,0,0|2,0,0]=3 659 B13R0.493 CNC(=O)CCN(C)CCCC(C)O 2230a_100000750875_200000718107 [0,1,0,0,0,0|3,0,0]=4 660 B13R0.493 CNC(=O)CCN(C)CCCC(C)O 269982a_100000750875_200000718107 [0,1,0,0,0,0|3,0,0]=4 661 B13R0.493 CNC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000737683 [0,1,0,0,0,0|3,0,0]=4 662 B13R0.493 CNC(=O)CCN(C)CCCN(C)C 269982a_100000750875_100000757444 [0,1,0,0,0,0|3,0,0]=4 663 B13R0.493 CNC(=O)CCN(C)CCOC(C)C 2230a_100000750875_100000211751 [0,1,0,0,0,0|3,0,0]=4 664 B13R0.493 CNC(=O)CCN(C)CCOC(C)C 269982a_100000750875_100000211751 [0,1,0,0,0,0|3,0,0]=4 665 B13R0.493 CNC(=O)CCN(C)CCSC(C)C 2230a_100000750875_100000730970 [0,1,0,0,0,0|3,0,0]=4 666 B13R0.493 CNC(=O)CCN(C)CCSC(C)C 269982a_100000750875_100000730970 [0,1,0,0,0,0|3,0,0]=4 667 B13R0.493 CNC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000183359 [0,1,0,0,0,0|2,0,0]=3 668 B13R0.493 CNC(=O)CNC(C)CCCC(C)C 270004a_100000693194_100000753411 [0,1,0,0,0,0|2,0,0]=3 669 B13R0.493 CNC(=O)CNC(C)CCOC(C)C 270004a_100000693194_200011219172 [0,1,0,0,0,0|3,0,0]=4 670 B13R0.493 CNC(=O)COC(C)CCCC(C)C 34a_200011218570_100000183359 [0,1,0,0,0,0|2,0,0]=3 671 B13R0.493 CNC(=O)COC(C)CCCC(C)C 7a_200011218570_100000183359 [0,1,0,0,0,0|2,0,0]=3 672 B13R0.493 COC(=O)CCC(=O)CCCC(C)C 1458a_100000187943_100011214892 [0,1,0,0,0,0|1,0,1]=3 673 B13R0.493 COC(=O)CCC(=O)CCCC(C)O 1458a_100000187943_200000718107 [0,1,0,0,0,0|2,0,1]=4 674 B13R0.493 COC(=O)CCC(=O)CCCN(C)C 1458a_100000187943_100000695564 [0,1,0,0,0,0|2,0,1]=4 675 B13R0.493 COC(=O)CCC(=O)CCOC(C)C 1458a_100000187943_100000211751 [0,1,0,0,0,0|2,0,1]=4 676 B13R0.493 COC(=O)CCC(=O)CCSC(C)C 1458a_100000187943_100000730970 [0,1,0,0,0,0|2,0,1]=4 677 B13R0.493 COC(=O)CCC(=O)CNCC(C)C 2230a_100000210953_100000691467 [0,1,0,0,0,0|2,0,1]=4 678 B13R0.493 COC(=O)CCC(=O)CNCC(C)C 34a_100000210953_100000691467 [0,1,0,0,0,0|2,0,1]=4 679 B13R0.493 COC(=O)CCC(=O)COCC(C)C 34a_100000210257_100000691467 [0,1,0,0,0,0|2,0,1]=4 680 B13R0.493 COC(=O)CCC(=O)CSCC(C)C 62a_100000210624_100000691467 [0,1,0,0,0,0|2,0,1]=4 681 B13R0.493 COC(=O)CCC(=O)CSCC(C)C 62a_100000691467_100000210760 [0,1,0,0,0,0|2,0,1]=4 682 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000187943 [0,1,0,0,0,0|2,0,1]=4 683 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000187943 [0,1,0,0,0,0|2,0,1]=4 684 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000187943 [0,1,0,0,0,0|2,0,1]=4 685 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 527a_100000210545_100000187943 [0,1,0,0,0,0|2,0,1]=4 686 B13R0.493 COC(=O)CCN(C)CCC=C(C)C 269982a_100025711912_100011217483 [0,1,0,0,0,0|1,0,2]=4 687 B13R0.493 COC(=O)CCN(C)CCCC(=O)C 269982a_100025711912_100011215641 [0,1,0,0,0,0|2,0,1]=4 688 B13R0.493 COC(=O)CCN(C)CCCC(C)C 269982a_100025711912_100011214892 [0,1,0,0,0,0|1,0,0]=2 689 B13R0.493 COC(=O)CCN(C)CCCC(C)O 269982a_100025711912_200000718107 [0,1,0,0,0,0|2,0,0]=3 690 B13R0.493 COC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100000204255 [0,1,0,0,0,0|2,0,0]=3 691 B13R0.493 COC(=O)CCN(C)CCCN(C)C 269982a_100025711912_100000757444 [0,1,0,0,0,0|2,0,0]=3 692 B13R0.493 COC(=O)CCN(C)CCOC(C)C 269982a_100025711912_100000211751 [0,1,0,0,0,0|2,0,0]=3 693 B13R0.493 COC(=O)CCN(C)CCSC(C)C 269982a_100025711912_100000730970 [0,1,0,0,0,0|2,0,0]=3 694 B13R0.493 COC(=O)CNC(=O)CCCC(C)C 188690a_100000185156_100011216857 [0,1,0,0,0,0|2,0,1]=4 695 B13R0.493 COC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747449 [0,1,0,0,0,0|1,0,0]=2 696 B13R0.493 COC(=O)COC(C)CCC=C(C)C 34a_100102619829_100000747449 [0,1,0,0,0,0|1,0,2]=4 697 B13R0.493 COC(=O)COC(C)CCC=C(C)C 7a_100102619829_100000747449 [0,1,0,0,0,0|1,0,2]=4 698 B13R0.493 COC(=O)COC(C)CCCC(C)C 34a_200011218570_100000747449 [0,1,0,0,0,0|1,0,0]=2 699 B13R0.493 COC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747449 [0,1,0,0,0,0|1,0,0]=2 700 B13R0.493 COC(=O)NCC(=O)CCCC(C)C 1458a_100000215747_100011214892 [0,1,0,0,0,0|2,0,1]=4 701 B13R0.493 CO[C@H](C)CNC(C)CCCC(C)C 270004a_100020591295_100000753411 [0,1,0,0,0,0|2,0,1]=4 702 B13R0.615 C=C(C)CCC(C)NC(C)CC(C)C 270004a_100000692259_100011215600 [0,1,0,0,0,0|3,0,0]=4 703 B13R0.615 CC(=O)OCC(C)NC(C)CC(C)C 270004a_100000692259_100000000629 [0,1,0,0,0,0|3,0,0]=4 704 B13R0.615 CC(=O)SCC(C)CC(=O)CC(C)C 1458a_100000210554_200000116872 [0,1,0,0,0,0|2,0,1]=4 705 B13R0.615 CC(=O)SCC(C)CN(C)CC(C)C 2230a_100000747067_200000116872 [0,1,0,0,0,0|3,0,0]=4 706 B13R0.615 CC(=O)SCC(C)CN(C)CC(C)C 269982a_100000747067_200000116872 [0,1,0,0,0,0|3,0,0]=4 707 B13R0.615 CC(CN(C)C)CN(C)CCC(=O)N 2230a_100000730477_100015348159 [0,1,0,0,0,0|3,0,0]=4 708 B13R0.1157 CC(=O)OCC(CCl)OCCC(C)C 7a_200000139349_100000210626 [0,1,0,0,0,0|3,0,0]=4 709 B13R0.1157 CCN(CCCC(C)C)CCC(=O)N 2230a_100020645749_100011214892 [0,1,0,0,0,0|2,0,0]=3 710 B13R0.1157 CCN(CCCC(C)O)CCC(=O)N 2230a_100020645749_200000718107 [0,1,0,0,0,0|3,0,0]=4 711 B13R0.1157 CCN(CCCN(C)C)CCC(=O)C 269982a_100000225837_100000053229 [0,1,0,0,0,0|3,0,0]=4 712 B13R0.1157 CCN(CCCN(C)C)CCC(=O)N 269982a_100000177782_100000204670 [0,1,0,0,0,0|3,0,0]=4 713 B13R0.1157 CCN(CCCN(C)C)CCC(=O)N 269982a_100000225837_100000744528 [0,1,0,0,0,0|3,0,0]=4 714 B13R0.1157 CCN(CCOC(C)C)CCC(=O)N 2230a_100020645749_100000211751 [0,1,0,0,0,0|3,0,0]=4 715 B13R0.1157 CCN(CCSC(C)C)CCC(=O)N 2230a_100020645749_100000730970 [0,1,0,0,0,0|3,0,0]=4 716 B13R0.1157 CN(C)CCCN(CF)CCC(=O)N 269982a_100000177782_100015361967 [0,1,0,0,0,0|3,0,0]=4 717 B13R0.1403 C=C(C)CN(C)C(C)CCCC(C)C 270004a_100000225649_100000753411 [0,1,0,0,0,0|3,0,0]=4 718 B13R0.1403 CC(C)CCCC(C)N(C)CC(=O)N 270004a_100000739694_100000753411 [0,1,0,0,0,0|2,0,0]=3 719 B13R0.1403 CC(C)CCCC(C)N(C)CC(C)O 270004a_100000227577_100000753411 [0,1,0,0,0,0|2,0,1]=4 720 B13R0.1403 CC(C)OCCC(C)N(C)CC(=O)N 270004a_100000739694_200011219172 [0,1,0,0,0,0|3,0,0]=4 721 B13R0.1424 C=C(C)COC(C)(C)CCCC(C)C 7a_100011215742_100000748629 [0,1,0,0,0,0|3,0,0]=4 722 B13R0.1424 C=C(F)COC(C)(C)CCCC(C)C 7a_100011215742_100000042424 [0,1,0,0,0,0|3,0,0]=4 723 B13R0.1424 CC(C)CCCC(C)(C)OCC(=O)N 7a_100011215742_100000187820 [0,1,0,0,0,0|2,0,0]=3 724 B13R0.1424 CC(C)CCCC(C)(C)OCC(C)O 7a_100011215742_100011218427 [0,1,0,0,0,0|2,0,1]=4 725 B13R0.1424 CC(C)CCCC(C)(C)OC[C@@H](C)O 7a_100011215742_100009817552 [0,1,0,0,0,0|2,0,1]=4 726 B13R0.1426 CC(C)CCCC(C)NCC(C)(C)O 270004a_100000751335_100000753411 [0,1,0,0,0,0|2,0,1]=4 727 B13R0.1426 CC(C)CCCC(C)OCC(C)(C)O 34a_200011218570_100000764493 [0,1,0,0,0,0|2,0,1]=4 728 B13R0.1426 CC(C)CCCC(C)OCC(C)(C)O 7a_200011218570_100000764493 [0,1,0,0,0,0|2,0,1]=4 729 B13R0.1426 CC(C)CCCC(C)OCS(=O)(=O)[O-] 34a_200011218570_100009817235 [0,1,0,0,0,0|2,0,1]=4 730 B13R0.1426 CC(C)CCCN(C)CCS(=O)(=O)C 2230a_100000750128_100011214892 [0,1,0,0,0,0|2,0,1]=4 731 B13R0.1426 CC(C)CCCN(C)CCS(=O)(=O)C 269982a_100000750128_100011214892 [0,1,0,0,0,0|2,0,1]=4 732 B13R0.1426 CC(C)CCCN(C)CCS(=O)(=O)C 34a_100000750128_100011214892 [0,1,0,0,0,0|2,0,1]=4 733 B13R1.129 C=C(C)CCC(C)N1CC[C@H](C1)C 270004a_100016987628_100011215600 [0,0,0,1,0,0|3,0,0]=4 734 B13R1.129 CC(=O)CCN(C)C1CCN(C1)C 1458a_100015186992_200000210301 [0,0,0,1,0,0|3,0,0]=4 735 B13R1.129 CC(=O)CCN(C)C1CCN(C1)C 269982a_103436538152_100000053229 [0,0,0,1,0,0|3,0,0]=4 736 B13R1.129 CC(=O)OCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000000629 [0,0,0,1,0,0|3,0,0]=4 737 B13R1.129 CC1CCC(C1)N(C)CCC(=O)N 270004a_100000730477_100011215218 [0,0,0,1,0,0|2,0,0]=3 738 B13R1.129 CN(CCC(=O)N)C1CCC(C1)O 270004a_100000730477_100012614533 [0,0,0,1,0,0|3,0,0]=4 739 B13R1.129 CN1CCC(C1)N(C)CCC(=O)N 2230a_103436538152_100000744528 [0,0,0,1,0,0|3,0,0]=4 740 B13R1.129 CN1CCC(C1)N(C)CCC(=O)N 269982a_103436538152_100000744528 [0,0,0,1,0,0|3,0,0]=4 741 B13R1.129 CN1CCC(C1)N(C)CCC(=O)[13CH3] 1458a_100015186992_200025704644 [0,0,0,1,0,0|3,0,0]=4 742 B13R1.165 CC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_200000210301 [0,0,0,1,0,0|1,0,0]=2 743 B13R1.165 CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000070787_200009893639 [0,0,0,1,0,0|1,0,0]=2 744 B13R1.165 CC(C)N1CCN(CC1C(=O)O)C 269956a_100020626280_100000210206 [0,0,0,1,0,0|2,0,0]=3 745 B13R1.165 CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210206 [0,0,0,1,0,0|1,0,0]=2 746 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)[13CH3])C 1458a_100009868045_200025704644 [0,0,0,1,0,0|1,0,0]=2 747 B13R1.165 CC(C)[C@H]1CC[C@@H](C[C@@H]1N(C)C)C 269982a_100102631434_200009893639 [0,0,0,1,0,0|3,0,0]=4 748 B13R1.293 CC(=O)SCC(C)CN1CC(C1)C 2230a_100000702820_200000116872 [0,0,0,1,0,0|3,0,0]=4 749 B13R1.293 CC(=O)SCC(C)CN1CC(C1)C 269982a_100000702820_200000116872 [0,0,0,1,0,0|3,0,0]=4 750 B13R1.293 CC(=O)SCC(C)CN1CC(C1)C 34a_100000702820_200000116872 [0,0,0,1,0,0|3,0,0]=4 751 B13R1.513 C=C1CCC(CC1)COCC(C)C 34a_100000074039_100000210624 [0,0,0,1,0,0|3,0,0]=4 752 B13R1.513 C=C1CCC(CC1)NCCC(C)C 270004a_100000210545_100010272673 [0,0,0,1,0,0|3,0,0]=4 753 B13R1.513 C=C1CCN(CC1)CCCC(C)C 2230a_100000752442_100011214892 [0,0,0,1,0,0|3,0,0]=4 754 B13R1.513 C=C1CCN(CC1)CCCC(C)C 269982a_100000752442_100011214892 [0,0,0,1,0,0|3,0,0]=4 755 B13R1.513 C=C1CCN(CC1)CCCC(C)C 34a_100000752442_100011214892 [0,0,0,1,0,0|3,0,0]=4 756 B13R1.513 CC(C)CCCN1CCC(CC1)O 2230a_100025773856_100011214892 [0,0,0,1,0,0|2,0,1]=4 757 B13R1.513 CC(C)CCCN1CCC(CC1)O 269982a_100025773856_100011214892 [0,0,0,1,0,0|2,0,1]=4 758 B13R1.513 CC(C)CCCN1CCS(=O)CC1 2230a_100000752083_100011214892 [0,0,0,1,0,0|3,0,0]=4 759 B13R1.513 CC(C)CCCN1CCS(=O)CC1 269982a_100000752083_100011214892 [0,0,0,1,0,0|3,0,0]=4 760 B13R1.513 CC(C)CCNC1CCC(=O)NC1 2230a_100000748762_100000210312 [0,0,0,1,0,0|2,0,0]=3 761 B13R1.513 CC(C)CCNC1CCC(=O)NC1 269862a_100000748762_100000185833 [0,0,0,1,0,0|2,0,0]=3 762 B13R1.513 CC(C)CCNC1CCC(=O)NC1 34a_100000748762_100000210312 [0,0,0,1,0,0|2,0,0]=3 763 B13R1.513 CC(C)CCNC1CCC(CC1)O 270004a_100000210545_100000764474 [0,0,0,1,0,0|2,0,1]=4 764 B13R1.513 CC(C)CCN[C@H]1CC[C@H](CC1)O 269862a_100020628982_100000185833 [0,0,0,1,0,0|2,0,1]=4 765 B13R1.513 CC(C)CCOC1CCC(=O)CC1 34a_100000764474_100000210312 [0,0,0,1,0,0|2,0,0]=3 766 B13R1.513 CC(C)CCOC1CCC(=O)CC1 7a_100000764474_100000210626 [0,0,0,1,0,0|2,0,0]=3 767 B13R1.513 CC(C)CCOC1CCC(=O)NC1 34a_100000079199_100000210312 [0,0,0,1,0,0|2,0,0]=3 768 B13R1.513 CC(C)CCOC1CNC(=O)NC1 34a_100000080929_100000210312 [0,0,0,1,0,0|3,0,0]=4 769 B13R1.513 CC(C)COCC1CCC(=O)CC1 34a_100000062911_100000210624 [0,0,0,1,0,0|2,0,0]=3 770 B13R1.513 CC(C)NCCC1CCC(CC1)O 34a_200011935226_100000210206 [0,0,0,1,0,0|2,0,1]=4 771 B13R1.513 CC(C)OCNC1CCC(=O)NC1 2230a_100000748762_100000709892 [0,0,0,1,0,0|3,0,0]=4 772 B13R1.513 CC(C)OCNC1CCC(=O)NC1 34a_100000748762_100000709892 [0,0,0,1,0,0|3,0,0]=4 773 B13R1.513 CC(C)OCOC1CCC(=O)CC1 34a_100000764474_100000709892 [0,0,0,1,0,0|3,0,0]=4 774 B13R1.513 CC(C)OCOC1CCC(=O)NC1 34a_100000079199_100000709892 [0,0,0,1,0,0|3,0,0]=4 775 B13R1.513 CC(O)CCNC1CCC(=O)NC1 2230a_100000748762_100012276601 [0,0,0,1,0,0|3,0,0]=4 776 B13R1.513 CC(O)CCNC1CCC(=O)NC1 34a_100000748762_100012276601 [0,0,0,1,0,0|3,0,0]=4 777 B13R1.513 CC(O)CCOC1CCC(=O)CC1 34a_100000764474_100012276601 [0,0,0,1,0,0|3,0,0]=4 778 B13R1.513 CC(O)CCOC1CCC(=O)CC1 7a_100000764474_100012276601 [0,0,0,1,0,0|3,0,0]=4 779 B13R1.513 CC(O)CCOC1CCC(=O)NC1 34a_100000079199_100012276601 [0,0,0,1,0,0|3,0,0]=4 780 B13R1.513 CC(O)COCC1CCC(=O)CC1 34a_100000062911_100011218427 [0,0,0,1,0,0|3,0,0]=4 781 B13R1.513 CC1=CCN(CC1)CCCC(C)C 2230a_100000693516_100011214892 [0,0,0,1,0,0|3,0,0]=4 782 B13R1.513 CC1=CCN(CC1)CCCC(C)C 269982a_100000693516_100011214892 [0,0,0,1,0,0|3,0,0]=4 783 B13R1.513 CC1=CCN(CC1)CCCC(C)C 34a_100000693516_100011214892 [0,0,0,1,0,0|3,0,0]=4 784 B13R1.513 CN(C)CCOC1CCC(=O)CC1 7a_100000764474_100000755713 [0,0,0,1,0,0|3,0,0]=4 785 B13R1.513 C[C@@H](O)COCC1CCC(=O)CC1 34a_100000062911_100009817552 [0,0,0,1,0,0|3,0,0]=4 786 B13R1.1024 C=C(C)CCN1CC(C1)CC(C)C 2230a_214813039686_100000730704 [0,0,0,1,0,0|3,0,0]=4 787 B13R1.1024 C=C(C)CCN1CC(C1)CC(C)C 269982a_214813039686_100000730704 [0,0,0,1,0,0|3,0,0]=4 788 B13R1.1024 C=C(C)CCN1CC(C1)CC(C)C 34a_214813039686_100000730704 [0,0,0,1,0,0|3,0,0]=4 789 B13R1.1024 CC(=O)CCN1CC(C1)CC(C)C 269982a_214813039686_100000053229 [0,0,0,1,0,0|2,0,0]=3 790 B13R1.1024 CC(=O)CCN1CC(C1)CN(C)C 269982a_100015199603_100000053229 [0,0,0,1,0,0|3,0,0]=4 791 B13R1.1024 CC(=O)CCN1CC(C1)OC(C)C 269982a_100000698322_100000053229 [0,0,0,1,0,0|3,0,0]=4 792 B13R1.1024 CC(=O)OCN1CC(C1)CC(C)C 269982a_214813039686_100000076356 [0,0,0,1,0,0|3,0,0]=4 793 B13R1.1024 CC(=O)OCN1CC(C1)CC(C)C 34a_214813039686_100009813279 [0,0,0,1,0,0|3,0,0]=4 794 B13R1.1024 CC(C)CC1CN(C1)CCC(=O)N 2230a_214813039686_100000744528 [0,0,0,1,0,0|2,0,0]=3 795 B13R1.1024 CC(C)CC1CN(C1)CCC(=O)N 269982a_214813039686_100000744528 [0,0,0,1,0,0|2,0,0]=3 796 B13R1.1024 CC(C)CC1CN(C1)CCC(=O)N 34a_214813039686_100000731001 [0,0,0,1,0,0|2,0,0]=3 797 B13R1.1024 CC(C)CC1CN(C1)CCC(C)O 2230a_214813039686_100012276601 [0,0,0,1,0,0|2,0,1]=4 798 B13R1.1024 CC(C)CC1CN(C1)CCC(C)O 269982a_214813039686_100012276601 [0,0,0,1,0,0|2,0,1]=4 799 B13R1.1024 CC(C)CC1CN(C1)CCC(C)O 34a_214813039686_100012276601 [0,0,0,1,0,0|2,0,1]=4 800 B13R1.1024 CC(C)OC1CN(C1)CCC(=O)N 2230a_100000698322_100000744528 [0,0,0,1,0,0|3,0,0]=4 801 B13R1.1024 CC(C)OC1CN(C1)CCC(=O)N 269982a_100000698322_100000744528 [0,0,0,1,0,0|3,0,0]=4 802 B13R1.1024 CC(C)OC1CN(C1)CCC(=O)N 34a_100000698322_100000731001 [0,0,0,1,0,0|3,0,0]=4 803 B13R1.1024 CN(C)CC1CN(C1)CCC(=O)N 269982a_100015199603_100000744528 [0,0,0,1,0,0|3,0,0]=4 804 B13R1.1035 C=C(C)CCN1CCCC(C1)(C)C 2230a_100000716857_100000730704 [0,0,0,1,0,0|3,0,0]=4 805 B13R1.1035 C=C(C)CCN1CCCC(C1)(C)C 269982a_100000716857_100000730704 [0,0,0,1,0,0|3,0,0]=4 806 B13R1.1035 C=C(C)CCN1CCCC(C1)(C)C 34a_100000716857_100000730704 [0,0,0,1,0,0|3,0,0]=4 807 B13R1.1035 C=C(C)COC1CCCC(C1)(C)C 7a_100011995757_100000748629 [0,0,0,1,0,0|3,0,0]=4 808 B13R1.1035 C=C(F)COC1CCCC(C1)(C)C 7a_100011995757_100000042424 [0,0,0,1,0,0|3,0,0]=4 809 B13R1.1035 CC(=O)CCN1CCCC(C1)(C)C 269982a_100000716857_100000053229 [0,0,0,1,0,0|2,0,0]=3 810 B13R1.1035 CC(=O)CCN1CCCC(C1)(C)O 269982a_100000695535_100000053229 [0,0,0,1,0,0|3,0,0]=4 811 B13R1.1035 CC(=O)CCN1CCOC(C1)(C)C 269982a_100000738910_100000053229 [0,0,0,1,0,0|3,0,0]=4 812 B13R1.1035 CC(=O)COC1CCOC(C1)(C)C 34a_100000211253_100010191092 [0,0,0,1,0,0|3,0,0]=4 813 B13R1.1035 CC(=O)OCN1CCCC(C1)(C)C 269982a_100000716857_100000076356 [0,0,0,1,0,0|3,0,0]=4 814 B13R1.1035 CC(=O)OCN1CCCC(C1)(C)C 34a_100000716857_100009813279 [0,0,0,1,0,0|3,0,0]=4 815 B13R1.1035 CC(O)CCN1CCCC(C1)(C)C 2230a_100000716857_100012276601 [0,0,0,1,0,0|2,0,1]=4 816 B13R1.1035 CC(O)CCN1CCCC(C1)(C)C 269982a_100000716857_100012276601 [0,0,0,1,0,0|2,0,1]=4 817 B13R1.1035 CC(O)CCN1CCCC(C1)(C)C 34a_100000716857_100012276601 [0,0,0,1,0,0|2,0,1]=4 818 B13R1.1035 CC(O)CNC1CCCC(C1)(C)C 270004a_100000210904_100000031663 [0,0,0,1,0,0|2,0,1]=4 819 B13R1.1035 CC(O)COC1CCCC(C1)(C)C 7a_100011995757_100011218427 [0,0,0,1,0,0|2,0,1]=4 820 B13R1.1035 CC1(CC(CCO1)NCC(=O)N)C 2230a_100000696200_100000747473 [0,0,0,1,0,0|3,0,0]=4 821 B13R1.1035 CC1(CC(CCO1)NCC(=O)O)C 269956a_100016091260_100010191092 [0,0,0,1,0,0|2,0,0]=3 822 B13R1.1035 CC1(CC(CCO1)OCC(=O)N)C 34a_100000693217_100000187820 [0,0,0,1,0,0|3,0,0]=4 823 B13R1.1035 CC1(CC(CCO1)OCC(=O)N)C 7a_100000693217_100000187820 [0,0,0,1,0,0|3,0,0]=4 824 B13R1.1035 CC1(CC(CCO1)OCC(=O)[O-])C 34a_100000693217_100020667443 [0,0,0,1,0,0|2,0,1]=4 825 B13R1.1035 CC1(CC(CCO1)SCC(=O)N)C 62a_100000747473_100010191092 [0,0,0,1,0,0|3,0,0]=4 826 B13R1.1035 CC1(CC(CCO1)SCC(=O)N)C 62a_100010191092_100000747473 [0,0,0,1,0,0|3,0,0]=4 827 B13R1.1035 CC1(CC(CCO1)SCC(=O)[O-])C 62a_100010191092_100020667443 [0,0,0,1,0,0|2,0,1]=4 828 B13R1.1035 CC1(CC(CCO1)SCC(=O)[O-])C 62a_100020667443_100010191092 [0,0,0,1,0,0|2,0,1]=4 829 B13R1.1035 CC1(CCCC(C1)OCC(=O)N)C 7a_100011995757_100000187820 [0,0,0,1,0,0|2,0,0]=3 830 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)C 2230a_100000716857_100000744528 [0,0,0,1,0,0|2,0,0]=3 831 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)C 269982a_100000716857_100000744528 [0,0,0,1,0,0|2,0,0]=3 832 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)C 34a_100000716857_100000731001 [0,0,0,1,0,0|2,0,0]=3 833 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)O 2230a_100000695535_100000744528 [0,0,0,1,0,0|3,0,0]=4 834 B13R1.1035 CC1(CCCN(C1)CCC(=O)N)O 269982a_100000695535_100000744528 [0,0,0,1,0,0|3,0,0]=4 835 B13R1.1035 CC1(CN(CCO1)CCC(=O)N)C 2230a_100000738910_100000744528 [0,0,0,1,0,0|3,0,0]=4 836 B13R1.1035 CC1(CN(CCO1)CCC(=O)N)C 269982a_100000738910_100000744528 [0,0,0,1,0,0|3,0,0]=4 837 B13R1.1035 CC1(CN(CCO1)CCC(=O)N)C 34a_100000738910_100000731001 [0,0,0,1,0,0|3,0,0]=4 838 B13R1.1035 C[C@@H](O)COC1CCCC(C1)(C)C 7a_100011995757_100009817552 [0,0,0,1,0,0|2,0,1]=4 839 B13R1.1048 CC(C)CCCC(C)NCC1CO1 2230a_100000210607_100011216344 [0,0,0,1,0,0|2,0,1]=4 840 B13R1.1048 CC(C)CCCC(C)OCC1CO1 34a_200011218570_102125554688 [0,0,0,1,0,0|2,0,1]=4 841 B13R1.1048 CC(C)CCCC(C)OCC1CO1 7a_200011218570_102125554688 [0,0,0,1,0,0|2,0,1]=4 842 B13R1.1048 CC(C)CCCC(C)OC[C@@H]1CO1 7a_200011218570_100000745022 [0,0,0,1,0,0|2,0,1]=4 843 B13R1.1055 C=C(C)CCC(C)NCCC1CC1 270004a_100000764129_100011215600 [0,0,0,1,0,0|3,0,0]=4 844 B13R1.1055 CC(=O)OCC(C)NCCC1CC1 270004a_100000764129_100000000629 [0,0,0,1,0,0|3,0,0]=4 845 B13R1.1055 CC(=O)SCC(C)CNCC1CC1 2230a_100000735609_200000116872 [0,0,0,1,0,0|3,0,0]=4 846 B13R1.1055 CC(=O)SCC(C)CNCC1CC1 34a_100000735609_200000116872 [0,0,0,1,0,0|3,0,0]=4 847 B13R1.1055 CC(=O)SCC(C)COCC1CC1 34a_100000211283_200000116872 [0,0,0,1,0,0|3,0,0]=4 848 B13R1.1055 CC(=O)SCC(C)CSCC1CC1 62a_100000756562_200000116872 [0,0,0,1,0,0|3,0,0]=4 849 B13R1.1055 CC(=O)SCC(C)CSCC1CC1 62a_200000116872_100000742324 [0,0,0,1,0,0|3,0,0]=4 850 B13R1.1055 CN(CCCC1CO1)CCC(=O)N 2230a_100000730477_100000733510 [0,0,0,1,0,0|3,0,0]=4 851 B13R1.1985 CC(=O)CCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100000053229 [0,0,0,1,0,0|3,0,0]=4 852 B13R1.1985 CC(=O)NCC1CCN(C1)C(C)C 11a_100000743801_100015343762 [0,0,0,1,0,0|3,0,0]=4 853 B13R1.1985 CC(=O)NCC1CCN(C1)C(C)C 1626a_100000743801_100015343762 [0,0,0,1,0,0|3,0,0]=4 854 B13R1.1985 CC(=O)NCC1CCN(C1)C(C)C 240690a_100000743801_100015343762 [0,0,0,1,0,0|3,0,0]=4 855 B13R1.1985 CC(=O)NCC1CCN(C1)C(C)C 527a_100000743801_100103153847 [0,0,0,1,0,0|3,0,0]=4 856 B13R1.1985 CC(=O)OCC1CCN(C1)C(C)C 2230a_100000118262_100000210206 [0,0,0,1,0,0|3,0,0]=4 857 B13R1.1985 CC(=O)OCC1CCN(C1)C(C)C 269982a_100000118262_100000210206 [0,0,0,1,0,0|3,0,0]=4 858 B13R1.1985 CC(C)N1CCC(C1)NCC(=O)N 2230a_100000746141_100000747473 [0,0,0,1,0,0|3,0,0]=4 859 B13R1.1985 CN(C)[C@H]1CCN(C1)CCC(=O)N 2230a_100016988096_100000744528 [0,0,0,1,0,0|3,0,0]=4 860 B13R1.1985 CN(C)[C@H]1CCN(C1)CCC(=O)N 269982a_100016988096_100000744528 [0,0,0,1,0,0|3,0,0]=4 861 B13R1.1989 C=C(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000730704 [0,0,0,1,0,0|1,0,2]=4 862 B13R1.1989 CC(=CCN[C@H]1C[C@H](C1)C(=O)O)C 269956a_100000738708_100000761012 [0,0,0,1,0,0|1,0,2]=4 863 B13R1.1989 CC(=O)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000053229 [0,0,0,1,0,0|2,0,1]=4 864 B13R1.1989 CC(=O)N1CC(C1)NCCC(C)C 2230a_100102955437_100000210312 [0,0,0,1,0,0|3,0,0]=4 865 B13R1.1989 CC(=O)N1CC(C1)NCCC(C)C 269862a_100102955437_100000185833 [0,0,0,1,0,0|3,0,0]=4 866 B13R1.1989 CC(C)CCCN1CC(C1)C(=O)N 34a_100025753142_100011214892 [0,0,0,1,0,0|2,0,0]=3 867 B13R1.1989 CC(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210312 [0,0,0,1,0,0|1,0,0]=2 868 B13R1.1989 CC(C)OCCN1CC(C1)C(=O)N 34a_100025753142_100000211751 [0,0,0,1,0,0|3,0,0]=4 869 B13R1.1989 CC(C)OCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000709892 [0,0,0,1,0,0|2,0,0]=3 870 B13R1.1989 CC(C)SCCN1CC(C1)C(=O)N 34a_100025753142_100000730970 [0,0,0,1,0,0|3,0,0]=4 871 B13R1.1989 CC(O)CCCN1CC(C1)C(=O)N 34a_100025753142_200000718107 [0,0,0,1,0,0|3,0,0]=4 872 B13R1.1989 CC(O)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100012276601 [0,0,0,1,0,0|2,0,0]=3 873 B13R1.1989 CN(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000755713 [0,0,0,1,0,0|2,0,0]=3 874 B13R1.3487 CC(C)CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210760 [0,0,0,1,0,0|3,0,0]=4 875 B13R1.3487 CC(C)CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210624 [0,0,0,1,0,0|3,0,0]=4 876 B13R1.3487 CC(C)CN1C[C@@H](C[C@H]1C(=O)N)O 270004a_100020587027_100000210432 [0,0,0,1,0,0|3,0,0]=4 877 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210760 [0,0,0,1,0,0|3,0,0]=4 878 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210624 [0,0,0,1,0,0|3,0,0]=4 879 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)N)F 270004a_100020614896_100000210432 [0,0,0,1,0,0|3,0,0]=4 880 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210624 [0,0,0,1,0,0|3,0,0]=4 881 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210760 [0,0,0,1,0,0|2,0,0]=3 882 B13R1.3487 CC(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210760 [0,0,0,1,0,0|2,0,0]=3 883 B13R1.3487 CC(O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011218427 [0,0,0,1,0,0|3,0,0]=4 884 B13R1.3487 CC(O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218427 [0,0,0,1,0,0|3,0,0]=4 885 B13R1.3487 C[C@@H](O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009817552 [0,0,0,1,0,0|3,0,0]=4 886 B13R1.3487 C[C@@H](O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009817552 [0,0,0,1,0,0|3,0,0]=4 887 B13R1.3796 C=C(C)CCN1CCCC(CC1)C 2230a_100025706717_100000730704 [0,0,0,1,0,0|3,0,0]=4 888 B13R1.3796 C=C(C)CCN1CCCC(CC1)C 269982a_100025706717_100000730704 [0,0,0,1,0,0|3,0,0]=4 889 B13R1.3796 C=C(C)CCN1CCCC(CC1)C 34a_100025706717_100000730704 [0,0,0,1,0,0|3,0,0]=4 890 B13R1.3796 CC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000053229 [0,0,0,1,0,0|2,0,0]=3 891 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000053229 [0,0,0,1,0,0|3,0,0]=4 892 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 1458a_200000176891_200000210301 [0,0,0,1,0,0|3,0,0]=4 893 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 269982a_100000211313_100000053229 [0,0,0,1,0,0|3,0,0]=4 894 B13R1.3796 CC(=O)OCN1CCCC(CC1)C 269982a_100025706717_100000076356 [0,0,0,1,0,0|3,0,0]=4 895 B13R1.3796 CC(=O)OCN1CCCC(CC1)C 34a_100025706717_100009813279 [0,0,0,1,0,0|3,0,0]=4 896 B13R1.3796 CC(O)CCN1CCCC(CC1)C 2230a_100025706717_100012276601 [0,0,0,1,0,0|2,0,1]=4 897 B13R1.3796 CC(O)CCN1CCCC(CC1)C 269982a_100025706717_100012276601 [0,0,0,1,0,0|2,0,1]=4 898 B13R1.3796 CC(O)CCN1CCCC(CC1)C 34a_100025706717_100012276601 [0,0,0,1,0,0|2,0,1]=4 899 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 2230a_100025706717_100000744528 [0,0,0,1,0,0|2,0,0]=3 900 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 269982a_100025706717_100000744528 [0,0,0,1,0,0|2,0,0]=3 901 B13R1.3796 CC1CCCN(CC1)CCC(=O)N 34a_100025706717_100000731001 [0,0,0,1,0,0|2,0,0]=3 902 B13R1.3796 CN1CCCN(CC1)CCC(=O)N 2230a_100000211313_100000744528 [0,0,0,1,0,0|3,0,0]=4 903 B13R1.3796 CN1CCCN(CC1)CCC(=O)N 269982a_100000211313_100000744528 [0,0,0,1,0,0|3,0,0]=4 904 B13R1.3796 CN1CCCN(CC1)CCC(=O)[13CH3] 1458a_200000176891_200025704644 [0,0,0,1,0,0|3,0,0]=4 905 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000744528 [0,0,0,1,0,0|3,0,0]=4 906 B13R1.3796 NC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000744528 [0,0,0,1,0,0|3,0,0]=4 907 B13R1.3835 CC(C)CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011214892 [0,0,0,1,0,0|2,0,1]=4 908 B13R1.3835 CN(C)CCCN(C)C1CC(=O)C1 269982a_100000225831_100009894365 [0,0,0,1,0,0|3,0,0]=4 909 B13R1.7745 CC(C)CCCN1CCC(C1)(C)O 2230a_100000718628_100011214892 [0,0,0,1,0,0|2,0,1]=4 910 B13R1.7745 CC(C)CCCN1CCC(C1)(C)O 269982a_100000718628_100011214892 [0,0,0,1,0,0|2,0,1]=4 911 B13R1.7745 CC(C)CCNC1CCS(=O)(=O)C1 2230a_100000683523_100000210312 [0,0,0,1,0,0|2,0,1]=4 912 B13R1.7745 CC(C)CCNC1CCS(=O)(=O)C1 34a_100000683523_100000210312 [0,0,0,1,0,0|2,0,1]=4 913 B13R1.7745 CC(C)CCOC1CCS(=O)(=O)C1 34a_100000186101_100000210312 [0,0,0,1,0,0|2,0,1]=4 914 B13R1.7745 CC(C)CCOC1CCS(=O)(=O)C1 7a_100000186101_100000210626 [0,0,0,1,0,0|2,0,1]=4 915 B13R1.7745 CC(C)CNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210760 [0,0,0,1,0,0|2,0,1]=4 916 B13R1.7745 CC(C)CNCC1CCS(=O)(=O)C1 270004a_100000737051_100000210432 [0,0,0,1,0,0|2,0,1]=4 917 B13R1.7745 CC(C)CNCC1CCS(=O)(=O)C1 34a_100000737051_100000210624 [0,0,0,1,0,0|2,0,1]=4 918 B11R0.6 C=C(C)CN(C)CCCC(C)C 2230a_100000225649_100011214892 [0,0,0,0,1,0|3,0,0]=4 919 B11R0.6 C=C(C)CN(C)CCCC(C)C 269982a_100000225649_100011214892 [0,0,0,0,1,0|3,0,0]=4 920 B11R0.6 CC(=CCCC(C)CC(=O)[13CH3])C 1458a_100000043202_200025704644 [0,0,0,0,1,0|1,0,2]=4 921 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,0,0,0,1,0|1,0,2]=4 922 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,1,0|1,0,2]=4 923 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,0,0,0,1,0|2,0,1]=4 924 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,0,0,0,1,0|2,0,0]=3 925 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,0,0,0,1,0|2,0,0]=3 926 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,0,0,0,1,0|2,0,0]=3 927 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,0,0,0,1,0|2,0,0]=3 928 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [0,0,0,0,1,0|3,0,0]=4 929 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [0,0,0,0,1,0|3,0,0]=4 930 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,0,0,0,1,0|2,0,1]=4 931 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,0,0,0,1,0|2,0,1]=4 932 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,0,0,0,1,0|1,0,2]=4 933 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,0,0,0,1,0|2,0,0]=3 934 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,0,0,0,1,0|1,0,0]=2 935 B11R0.6 CC(C)CCCN(C)CC(C)O 2230a_100000227577_100011214892 [0,0,0,0,1,0|2,0,1]=4 936 B11R0.6 CC(C)CCCN(C)CC(C)O 269982a_100000227577_100011214892 [0,0,0,0,1,0|2,0,1]=4 937 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,0,0,0,1,0|2,0,0]=3 938 B11R0.6 CC(C)OCCN(C)CC(=O)N 2230a_100000739694_100000211751 [0,0,0,0,1,0|3,0,0]=4 939 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,0,0,0,1,0|2,0,0]=3 940 B11R0.6 CC(C)SCCN(C)CC(=O)N 2230a_100000739694_100000730970 [0,0,0,0,1,0|3,0,0]=4 941 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,0,0,0,1,0|2,0,0]=3 942 B11R0.6 CC(O)CCCN(C)CC(=O)N 2230a_100000739694_200000718107 [0,0,0,0,1,0|3,0,0]=4 943 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,0,0,0,1,0|2,0,0]=3 944 B11R0.6 CC(O)CNCC(O)CC(=O)O 269956a_100011218706_100011218427 [0,0,0,0,1,0|3,0,0]=4 945 B11R0.6 CN(C)CCCN(C)CC(=O)N 269982a_100000225831_100000187820 [0,0,0,0,1,0|3,0,0]=4 946 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,0,0,0,1,0|2,0,0]=3 947 B11R0.6 CN(C)CCCN(C)CC(=O)[O-] 269982a_100000225831_100020667443 [0,0,0,0,1,0|2,0,1]=4 948 B11R0.6 C[C@@H](O)CNCC(O)CC(=O)O 269956a_100011218706_100009817552 [0,0,0,0,1,0|3,0,0]=4 949 B11R0.85 C=C(C)CCC(C)NCC(C)C 270004a_100000210953_100011215600 [0,0,0,0,1,0|3,0,0]=4 950 B11R0.85 C=C(C)CCN(C)CCC(C)C 2230a_100000742789_100000730704 [0,0,0,0,1,0|3,0,0]=4 951 B11R0.85 C=C(C)CCN(C)CCC(C)C 269982a_100000742789_100000730704 [0,0,0,0,1,0|3,0,0]=4 952 B11R0.85 C=C(C)CNC(C)CCC(C)C 2230a_100138410893_100000748629 [0,0,0,0,1,0|3,0,0]=4 953 B11R0.85 C=C(C)COC(C)CCC(C)C 34a_100000210245_100011261404 [0,0,0,0,1,0|3,0,0]=4 954 B11R0.85 C=C(C)COC(C)CCC(C)C 34a_100011215350_100000748629 [0,0,0,0,1,0|3,0,0]=4 955 B11R0.85 C=C(C)COC(C)CCC(C)C 7a_100011215350_100000748629 [0,0,0,0,1,0|3,0,0]=4 956 B11R0.85 C=C(C)CSC(C)CCC(C)C 62a_100000748629_100011261404 [0,0,0,0,1,0|3,0,0]=4 957 B11R0.85 C=C(C)CSC(C)CCC(C)C 62a_100011261404_100000211660 [0,0,0,0,1,0|3,0,0]=4 958 B11R0.85 C=C(F)CNC(C)CCC(C)C 2230a_100138410893_100009893438 [0,0,0,0,1,0|3,0,0]=4 959 B11R0.85 C=C(F)COC(C)CCC(C)C 34a_100011215350_100009893438 [0,0,0,0,1,0|3,0,0]=4 960 B11R0.85 C=C(F)COC(C)CCC(C)C 34a_200010262243_100011261404 [0,0,0,0,1,0|3,0,0]=4 961 B11R0.85 C=C(F)COC(C)CCC(C)C 7a_100011215350_100000042424 [0,0,0,0,1,0|3,0,0]=4 962 B11R0.85 C=C(F)CSC(C)CCC(C)C 62a_100000042424_100011261404 [0,0,0,0,1,0|3,0,0]=4 963 B11R0.85 C=C(F)CSC(C)CCC(C)C 62a_100011261404_100000042424 [0,0,0,0,1,0|3,0,0]=4 964 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [0,0,0,0,1,0|2,0,0]=3 965 B11R0.85 CC(=O)CCN(C)CCN(C)C 269982a_100000225618_100000053229 [0,0,0,0,1,0|3,0,0]=4 966 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [0,0,0,0,1,0|2,0,0]=3 967 B11R0.85 CC(=O)OCC(C)NCC(C)C 270004a_100000210953_100000000629 [0,0,0,0,1,0|3,0,0]=4 968 B11R0.85 CC(=O)OCN(C)CCC(C)C 269982a_100000742789_100000076356 [0,0,0,0,1,0|3,0,0]=4 969 B11R0.85 CC(=O)SCC(C)CNC(C)C 2230a_100138425928_200000116872 [0,0,0,0,1,0|3,0,0]=4 970 B11R0.85 CC(=O)SCC(C)CNC(C)C 34a_100138425928_200000116872 [0,0,0,0,1,0|3,0,0]=4 971 B11R0.85 CC(=O)SCC(C)COC(C)C 34a_100000212225_200000116872 [0,0,0,0,1,0|3,0,0]=4 972 B11R0.85 CC(=O)SCC(C)CSC(C)C 62a_100000210206_200000116872 [0,0,0,0,1,0|3,0,0]=4 973 B11R0.85 CC(=O)SCC(C)CSC(C)C 62a_200000116872_100000210206 [0,0,0,0,1,0|3,0,0]=4 974 B11R0.85 CC(C)CCC(=O)CCC(=O)N 1458a_100011215257_100000210312 [0,0,0,0,1,0|2,0,1]=4 975 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100000711301_100011261404 [0,0,0,0,1,0|2,0,0]=3 976 B11R0.85 CC(C)CCC(C)NCC(=O)N 2230a_100138410893_100000747473 [0,0,0,0,1,0|2,0,0]=3 977 B11R0.85 CC(C)CCC(C)NCC(=O)O 269956a_100016091260_100011261404 [0,0,0,0,1,0|1,0,0]=2 978 B11R0.85 CC(C)CCC(C)NCC(C)O 2230a_100000210904_100011261404 [0,0,0,0,1,0|2,0,1]=4 979 B11R0.85 CC(C)CCC(C)NCC(C)O 2230a_100138410893_100011218427 [0,0,0,0,1,0|2,0,1]=4 980 B11R0.85 CC(C)CCC(C)NCC(C)O 270004a_100000210904_100000210476 [0,0,0,0,1,0|2,0,1]=4 981 B11R0.85 CC(C)CCC(C)NCC(C)O 34a_100000210904_100011261404 [0,0,0,0,1,0|2,0,1]=4 982 B11R0.85 CC(C)CCC(C)NC[C@@H](C)O 2230a_100138410893_100009817552 [0,0,0,0,1,0|2,0,1]=4 983 B11R0.85 CC(C)CCC(C)OCC(=O)N 34a_100011215350_100000187820 [0,0,0,0,1,0|2,0,0]=3 984 B11R0.85 CC(C)CCC(C)OCC(=O)N 7a_100011215350_100000187820 [0,0,0,0,1,0|2,0,0]=3 985 B11R0.85 CC(C)CCC(C)OCC(=O)[O-] 34a_100011215350_100020667443 [0,0,0,0,1,0|1,0,1]=3 986 B11R0.85 CC(C)CCC(C)OCC(C)O 34a_100011215350_100011218427 [0,0,0,0,1,0|2,0,1]=4 987 B11R0.85 CC(C)CCC(C)OCC(C)O 7a_100011215350_100011218427 [0,0,0,0,1,0|2,0,1]=4 988 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 34a_100011215350_100009817552 [0,0,0,0,1,0|2,0,1]=4 989 B11R0.85 CC(C)CCC(C)OC[C@@H](C)O 7a_100011215350_100009817552 [0,0,0,0,1,0|2,0,1]=4 990 B11R0.85 CC(C)CCC(C)OC[N+](=O)[O-] 34a_100011215350_100000761209 [0,0,0,0,1,0|2,0,1]=4 991 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100000747473_100011261404 [0,0,0,0,1,0|2,0,0]=3 992 B11R0.85 CC(C)CCC(C)SCC(=O)N 62a_100011261404_100000747473 [0,0,0,0,1,0|2,0,0]=3 993 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100011261404_100020667443 [0,0,0,0,1,0|1,0,1]=3 994 B11R0.85 CC(C)CCC(C)SCC(=O)[O-] 62a_100020667443_100011261404 [0,0,0,0,1,0|1,0,1]=3 995 B11R0.85 CC(C)CCC(C)SCC(C)O 62a_100011218427_100011261404 [0,0,0,0,1,0|2,0,1]=4 996 B11R0.85 CC(C)CCC(C)SCC(C)O 62a_100011261404_100011218427 [0,0,0,0,1,0|2,0,1]=4 997 B11R0.85 CC(C)CCC(C)SC[C@@H](C)O 62a_100009817552_100011261404 [0,0,0,0,1,0|2,0,1]=4 998 B11R0.85 CC(C)CCC(C)SC[C@@H](C)O 62a_100011261404_100009817552 [0,0,0,0,1,0|2,0,1]=4 999 B11R0.85 CC(C)CCC(C)SC[N+](=O)[O-] 62a_100011261404_100000761209 [0,0,0,0,1,0|2,0,1]=4 1000 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000730477_100000210312 [0,0,0,0,1,0|2,0,0]=3 1001 B11R0.85 CC(C)CCN(C)CCC(=O)N 2230a_100000742789_100000744528 [0,0,0,0,1,0|2,0,0]=3 1002 B11R0.85 CC(C)CCN(C)CCC(=O)N 269982a_100000742789_100000744528 [0,0,0,0,1,0|2,0,0]=3 1003 B11R0.85 CC(C)CCN(C)CCC(C)O 2230a_100000742789_100012276601 [0,0,0,0,1,0|2,0,1]=4 1004 B11R0.85 CC(C)CCN(C)CCC(C)O 269982a_100000742789_100012276601 [0,0,0,0,1,0|2,0,1]=4 1005 B11R0.85 CC(C)OCN(C)CCC(=O)N 2230a_100000730477_100000709892 [0,0,0,0,1,0|3,0,0]=4 1006 B11R0.85 CC(O)CCN(C)CCC(=O)N 2230a_100000730477_100012276601 [0,0,0,0,1,0|3,0,0]=4 1007 B11R0.85 CN(C)CCN(C)CCC(=O)N 269982a_100000225618_100000744528 [0,0,0,0,1,0|3,0,0]=4 1008 B13R0.182 C=C(C)CCC(C)NCCCC(C)C 270004a_200000737386_100011215600 [0,0,0,0,0,1|2,0,0]=3 1009 B13R0.182 C=C(C)CCC(C)NCCCN(C)C 270004a_102531767803_100011215600 [0,0,0,0,0,1|3,0,0]=4 1010 B13R0.182 C=C(C)CCC(C)NCCOC(C)C 270004a_100000701111_100011215600 [0,0,0,0,0,1|3,0,0]=4 1011 B13R0.182 C=C(C)CCC(C)NCCSC(C)C 270004a_100000731138_100011215600 [0,0,0,0,0,1|3,0,0]=4 1012 B13R0.182 CC(=O)OCC(C)NCCCC(C)C 270004a_200000737386_100000000629 [0,0,0,0,0,1|2,0,0]=3 1013 B13R0.182 CC(=O)OCC(C)NCCCN(C)C 270004a_102531767803_100000000629 [0,0,0,0,0,1|3,0,0]=4 1014 B13R0.182 CC(=O)OCC(C)NCCOC(C)C 270004a_100000701111_100000000629 [0,0,0,0,0,1|3,0,0]=4 1015 B13R0.182 CC(=O)OCC(C)NCCSC(C)C 270004a_100000731138_100000000629 [0,0,0,0,0,1|3,0,0]=4 1016 B13R0.182 CC(=O)OCC(O)COCCC(C)C 34a_100000210254_200000139349 [0,0,0,0,0,1|3,0,0]=4 1017 B13R0.182 CC(=O)OCC(O)COCCC(C)C 7a_100000210254_200000139349 [0,0,0,0,0,1|3,0,0]=4 1018 B13R0.182 CC(=O)OCC(O)CSCCC(C)C 62a_100000210312_200000139349 [0,0,0,0,0,1|3,0,0]=4 1019 B13R0.182 CC(=O)OCC(O)CSCCC(C)C 62a_200000139349_100000210312 [0,0,0,0,0,1|3,0,0]=4 1020 B13R0.182 CC(=O)SCC(C)CNCCC(C)O 2230a_200000755665_200000116872 [0,0,0,0,0,1|3,0,0]=4 1021 B13R0.182 CC(=O)SCC(C)COCCC(C)Br 34a_100009893172_200000116872 [0,0,0,0,0,1|3,0,0]=4 1022 B13R0.182 CC(=O)SCC(C)COCCC(C)C 34a_100000210254_200000116872 [0,0,0,0,0,1|2,0,0]=3 1023 B13R0.182 CC(=O)SCC(C)COCCC(C)C 7a_100000210254_200000116872 [0,0,0,0,0,1|2,0,0]=3 1024 B13R0.182 CC(=O)SCC(C)COCC[C@@H](C)N 34a_100000706166_200000116872 [0,0,0,0,0,1|3,0,0]=4 1025 B13R0.182 CC(=O)SCC(C)CSCCC(C)C 62a_100000210312_200000116872 [0,0,0,0,0,1|2,0,0]=3 1026 B13R0.182 CC(=O)SCC(C)CSCCC(C)C 62a_200000116872_100000210312 [0,0,0,0,0,1|2,0,0]=3 1027 B13R0.182 CC(=O)SCC(C)CSCCC(C)O 62a_100012276601_200000116872 [0,0,0,0,0,1|3,0,0]=4 1028 B13R0.182 CC(=O)SCC(C)CSCCC(C)O 62a_200000116872_100012276601 [0,0,0,0,0,1|3,0,0]=4 1029 B13R0.182 CC(=O)SCC(C)CSCCN(C)C 62a_200000116872_100000755713 [0,0,0,0,0,1|3,0,0]=4 1030 B13R0.182 CC(=O)SCC(C)CSCOC(C)C 62a_100000709892_200000116872 [0,0,0,0,0,1|3,0,0]=4 1031 B13R0.182 CC(=O)SCC(C)CSCOC(C)C 62a_200000116872_100000709892 [0,0,0,0,0,1|3,0,0]=4 1032 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,0,0,0,0,1|2,0,1]=4 1033 B13R0.182 CC(C)CCCCN(C)CCC(=O)N 2230a_100000730477_100011216152 [0,0,0,0,0,1|2,0,0]=3 1034 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 240690a_200000737386_100011215257 [0,0,0,0,0,1|2,0,1]=4 1035 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 527a_200000737386_100011215257 [0,0,0,0,0,1|2,0,1]=4 1036 B13R0.182 CC(C)CCCNC(C)CCC(C)C 2230a_100138410893_100011214892 [0,0,0,0,0,1|2,0,1]=4 1037 B13R0.182 CC(C)CCCNC(C)CCC(C)C 2230a_200000737386_100011261404 [0,0,0,0,0,1|2,0,1]=4 1038 B13R0.182 CC(C)CCCNC(C)CCC(C)C 270004a_200000737386_100000210476 [0,0,0,0,0,1|2,0,1]=4 1039 B13R0.182 CC(C)CCCNC(C)CCC(C)C 34a_200000737386_100011261404 [0,0,0,0,0,1|2,0,1]=4 1040 B13R0.182 CC(C)CCCOC(C)CCC(C)C 34a_100000210774_100011261404 [0,0,0,0,0,1|2,0,1]=4 1041 B13R0.182 CC(C)CCCOC(C)CCC(C)C 34a_100011215350_100011214892 [0,0,0,0,0,1|2,0,1]=4 1042 B13R0.182 CC(C)CCCOC(C)CCC(C)C 7a_100011215350_100011214892 [0,0,0,0,0,1|2,0,1]=4 1043 B13R0.182 CC(C)CCCSC(C)CCC(C)C 62a_100011214892_100011261404 [0,0,0,0,0,1|2,0,1]=4 1044 B13R0.182 CC(C)CCCSC(C)CCC(C)C 62a_100011261404_100011214892 [0,0,0,0,0,1|2,0,1]=4 1045 B13R0.182 CC(C)CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210312 [0,0,0,0,0,1|2,0,1]=4 1046 B13R0.182 CC(C)CNCCC(=O)NCC(=O)O 269956a_100000722369_100000210760 [0,0,0,0,0,1|2,0,1]=4 1047 B13R0.182 CC(C)COCCC(C)NCC(C)O 270004a_100000210904_200011216429 [0,0,0,0,0,1|2,0,1]=4 1048 B13R0.1398 C=C(C)CCNC(C)CCCC(C)C 2230a_100000210607_100000730704 [0,0,0,0,0,1|2,0,0]=3 1049 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 34a_200011218570_100000730704 [0,0,0,0,0,1|2,0,0]=3 1050 B13R0.1398 C=C(C)CCOC(C)CCCC(C)C 7a_200011218570_100000730704 [0,0,0,0,0,1|2,0,0]=3 1051 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 2230a_100138425928_100009814015 [0,0,0,0,0,1|3,0,0]=4 1052 B13R0.1398 CC(=CCCC(C)CCNC(C)C)C 34a_100138425928_100009814015 [0,0,0,0,0,1|3,0,0]=4 1053 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000017536_100000210206 [0,0,0,0,0,1|3,0,0]=4 1054 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 34a_100000212225_100009814015 [0,0,0,0,0,1|3,0,0]=4 1055 B13R0.1398 CC(=CCCC(C)CCOC(C)C)C 7a_100000017536_100000210206 [0,0,0,0,0,1|3,0,0]=4 1056 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100000210206_100009814015 [0,0,0,0,0,1|3,0,0]=4 1057 B13R0.1398 CC(=CCCC(C)CCSC(C)C)C 62a_100009814015_100000210206 [0,0,0,0,0,1|3,0,0]=4 1058 B13R0.1398 CC(=CCCC(C)CNCC(C)C)C 270004a_100000210953_100000033009 [0,0,0,0,0,1|3,0,0]=4 1059 B13R0.1398 CC(=CCCC(C)NCCC(C)C)C 270004a_100000210545_100000765506 [0,0,0,0,0,1|3,0,0]=4 1060 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 34a_100102619829_100000731001 [0,0,0,0,0,1|1,0,2]=4 1061 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 7a_100102619829_100000744528 [0,0,0,0,0,1|1,0,2]=4 1062 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 34a_100102619829_100000210312 [0,0,0,0,0,1|3,0,0]=4 1063 B13R0.1398 CC(=CCCC(C)OCCC(C)C)C 7a_100102619829_100000210626 [0,0,0,0,0,1|3,0,0]=4 1064 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,0,0,0,0,1|1,0,2]=4 1065 B13R0.1398 CC(=CCNC(C)CCCC(C)C)C 2230a_100000210607_100000761012 [0,0,0,0,0,1|2,0,1]=4 1066 B13R0.1398 CC(=CCNC(C)CCCC(C)C)C 270004a_100000718196_100000753411 [0,0,0,0,0,1|2,0,1]=4 1067 B13R0.1398 CC(=CCOC(C)CCCC(C)C)C 34a_200011218570_100000761012 [0,0,0,0,0,1|2,0,1]=4 1068 B13R0.1398 CC(=CCOC(C)CCCC(C)C)C 7a_200011218570_100000761012 [0,0,0,0,0,1|2,0,1]=4 1069 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,0,0,0,0,1|2,0,1]=4 1070 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O 269956a_100000719178_100011215641 [0,0,0,0,0,1|2,0,1]=4 1071 B13R0.1398 CC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100011215641 [0,0,0,0,0,1|3,0,0]=4 1072 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,0,0,0,0,1|1,0,2]=4 1073 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000053229 [0,0,0,0,0,1|1,0,0]=2 1074 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,0,0,0,0,1|2,0,1]=4 1075 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,0,0,0,0,1|2,0,1]=4 1076 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100015343762 [0,0,0,0,0,1|1,0,0]=2 1077 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100015343762 [0,0,0,0,0,1|1,0,0]=2 1078 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100103153847 [0,0,0,0,0,1|1,0,0]=2 1079 B13R0.1398 CC(=O)NCCN(C)CCCN(C)C 269982a_100000225831_100000189650 [0,0,0,0,0,1|3,0,0]=4 1080 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,0,0,0,0,1|2,0,1]=4 1081 B13R0.1398 CC(=O)OCCN(C)CCCN(C)C 269982a_100000225831_100009814007 [0,0,0,0,0,1|3,0,0]=4 1082 B13R0.1398 CC(=O)OCOC(C)CCCC(C)C 34a_200011218570_100009813279 [0,0,0,0,0,1|2,0,0]=3 1083 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,0,0,0,0,1|2,0,1]=4 1084 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,0,0,0,0,1|2,0,1]=4 1085 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100000181464_100011214892 [0,0,0,0,0,1|2,0,1]=4 1086 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100011216857_200000034859 [0,0,0,0,0,1|2,0,1]=4 1087 B13R0.1398 CC(C)CCCC(=O)CCOC(=O)N 1458a_100011216857_200011214921 [0,0,0,0,0,1|2,0,1]=4 1088 B13R0.1398 CC(C)CCCC(=O)COCC(=O)N 1458a_100011219004_100011214892 [0,0,0,0,0,1|2,0,1]=4 1089 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 11a_100000740010_100011216857 [0,0,0,0,0,1|2,0,1]=4 1090 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 240690a_100000740010_100011216857 [0,0,0,0,0,1|2,0,1]=4 1091 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 527a_100000740010_100011216857 [0,0,0,0,0,1|2,0,1]=4 1092 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 2230a_100138425928_100009816328 [0,0,0,0,0,1|2,0,1]=4 1093 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 2230a_102516457229_100000210206 [0,0,0,0,0,1|2,0,1]=4 1094 B13R0.1398 CC(C)CCCC(C)CCNC(C)C 34a_100138425928_100009816328 [0,0,0,0,0,1|2,0,1]=4 1095 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000015991_100000210206 [0,0,0,0,0,1|2,0,1]=4 1096 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 34a_100000212225_100009816328 [0,0,0,0,0,1|2,0,1]=4 1097 B13R0.1398 CC(C)CCCC(C)CCOC(C)C 7a_100000015991_100000210206 [0,0,0,0,0,1|2,0,1]=4 1098 B13R0.1398 CC(C)CCCC(C)CCSC(C)C 62a_100000210206_100009816328 [0,0,0,0,0,1|2,0,1]=4 1099 B13R0.1398 CC(C)CCCC(C)CCSC(C)C 62a_100009816328_100000210206 [0,0,0,0,0,1|2,0,1]=4 1100 B13R0.1398 CC(C)CCCC(C)NCCC(=O)N 2230a_100000210607_100000744528 [0,0,0,0,0,1|1,0,0]=2 1101 B13R0.1398 CC(C)CCCC(C)NCCC(C)C 2230a_100000210607_100000210312 [0,0,0,0,0,1|2,0,1]=4 1102 B13R0.1398 CC(C)CCCC(C)NCCC(C)C 269862a_100000210607_100000185833 [0,0,0,0,0,1|2,0,1]=4 1103 B13R0.1398 CC(C)CCCC(C)NCCC(C)C 270004a_100000210545_100000753411 [0,0,0,0,0,1|2,0,1]=4 1104 B13R0.1398 CC(C)CCCC(C)NCCC(C)O 2230a_100000210607_100012276601 [0,0,0,0,0,1|1,0,1]=3 1105 B13R0.1398 CC(C)CCCC(C)NCCC(C)O 270004a_200000755665_100000753411 [0,0,0,0,0,1|1,0,1]=3 1106 B13R0.1398 CC(C)CCCC(C)NCCN(C)C 270004a_100000210585_100000753411 [0,0,0,0,0,1|3,0,0]=4 1107 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 34a_200011218570_100000731001 [0,0,0,0,0,1|1,0,0]=2 1108 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 7a_200011218570_100000744528 [0,0,0,0,0,1|1,0,0]=2 1109 B13R0.1398 CC(C)CCCC(C)OCCC(C)C 34a_200011218570_100000210312 [0,0,0,0,0,1|2,0,1]=4 1110 B13R0.1398 CC(C)CCCC(C)OCCC(C)C 7a_200011218570_100000210626 [0,0,0,0,0,1|2,0,1]=4 1111 B13R0.1398 CC(C)CCCC(C)OCCC(C)O 34a_200011218570_100012276601 [0,0,0,0,0,1|1,0,1]=3 1112 B13R0.1398 CC(C)CCCC(C)OCCC(C)O 7a_200011218570_100012276601 [0,0,0,0,0,1|1,0,1]=3 1113 B13R0.1398 CC(C)CCCC(C)OCCN(C)C 7a_200011218570_100000755713 [0,0,0,0,0,1|3,0,0]=4 1114 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100011214892 [0,0,0,0,0,1|1,0,0]=2 1115 B13R0.1398 CC(C)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210626 [0,0,0,0,0,1|1,0,1]=3 1116 B13R0.1398 CC(C)OCCN(C)CCCC(=O)O 269956a_100000719178_100000211751 [0,0,0,0,0,1|2,0,0]=3 1117 B13R0.1398 CC(C)SCCN(C)CCCC(=O)O 269956a_100000719178_100000730970 [0,0,0,0,0,1|2,0,0]=3 1118 B13R0.1398 CC(CCCC(=O)[O-])OCCN(C)C 7a_100000761597_100000755713 [0,0,0,0,0,1|2,0,1]=4 1119 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 269956a_100000719178_200000718107 [0,0,0,0,0,1|2,0,0]=3 1120 B13R0.1398 CC(O)CCNC(C)CCOC(C)C 270004a_200000755665_200011219172 [0,0,0,0,0,1|2,0,1]=4 1121 B13R0.1398 CC(O)CCOC(C)CCCC(=O)[O-] 7a_100000761597_100012276601 [0,0,0,0,0,1|2,0,1]=4 1122 B13R0.1398 CN(C)CCCN(C)CCCC(=O)N 269982a_100000225831_100102525003 [0,0,0,0,0,1|3,0,0]=4 1123 B13R0.1398 CN(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100000757444 [0,0,0,0,0,1|2,0,0]=3 1124 B13R0.1398 CN(C)CCCN(C)CCNC(=O)N 269982a_100000225831_200000034859 [0,0,0,0,0,1|3,0,0]=4 1125 B13R0.1398 CN(C)CCCN(C)CCOC(=O)N 269982a_100000225831_200011214921 [0,0,0,0,0,1|3,0,0]=4 1126 B10R0.4 C=CCCCCCCN(C)C 2230a_100102631434_100011215473 [2,0,0,0,0,0|2,0,0]=4 1127 B10R0.4 C=CCCCCCCN(C)C 269982a_100102631434_100011215473 [2,0,0,0,0,0|2,0,0]=4 1128 B10R0.4 C=CCCCCCNC(C)C 2230a_100138425928_100000700193 [2,0,0,0,0,0|2,0,0]=4 1129 B10R0.4 C=CCCCCCNC(C)C 34a_100138425928_100000700193 [2,0,0,0,0,0|2,0,0]=4 1130 B10R0.4 C=CCCCCCOC(C)C 34a_100000212225_100000700193 [2,0,0,0,0,0|2,0,0]=4 1131 B10R0.4 C=CCCCCCOC(C)C 34a_100011216702_100000210206 [2,0,0,0,0,0|2,0,0]=4 1132 B10R0.4 C=CCCCCCOC(C)C 7a_100011216702_100000210206 [2,0,0,0,0,0|2,0,0]=4 1133 B10R0.4 C=CCCCCCSC(C)C 62a_100000210206_100000700193 [2,0,0,0,0,0|2,0,0]=4 1134 B10R0.4 C=CCCCCCSC(C)C 62a_100000700193_100000210206 [2,0,0,0,0,0|2,0,0]=4 1135 B10R0.4 C=CCCCCNCC(C)C 2230a_100000210953_100011215482 [2,0,0,0,0,0|2,0,0]=4 1136 B10R0.4 C=CCCCCNCC(C)C 2230a_100000703577_100000210760 [2,0,0,0,0,0|2,0,0]=4 1137 B10R0.4 C=CCCCCNCC(C)C 270004a_100000703577_100000210432 [2,0,0,0,0,0|2,0,0]=4 1138 B10R0.4 C=CCCCCNCC(C)C 34a_100000210953_100011215482 [2,0,0,0,0,0|2,0,0]=4 1139 B10R0.4 C=CCCCCNCC(C)C 34a_100000703577_100000210624 [2,0,0,0,0,0|2,0,0]=4 1140 B10R0.4 C=CCCCCOCC(C)C 34a_100000210257_100011215482 [2,0,0,0,0,0|2,0,0]=4 1141 B10R0.4 C=CCCCCOCC(C)C 34a_100000766645_100000210624 [2,0,0,0,0,0|2,0,0]=4 1142 B10R0.4 C=CCCCCOCC(C)C 7a_100000766645_100000210760 [2,0,0,0,0,0|2,0,0]=4 1143 B10R0.4 C=CCCCCSCC(C)C 62a_100000210624_100011215482 [2,0,0,0,0,0|2,0,0]=4 1144 B10R0.4 C=CCCCCSCC(C)C 62a_100011215482_100000210760 [2,0,0,0,0,0|2,0,0]=4 1145 B10R0.4 C=CCCCNCCC(C)C 2230a_100000700776_100000210312 [2,0,0,0,0,0|2,0,0]=4 1146 B10R0.4 C=CCCCNCCC(C)C 269862a_100000700776_100000185833 [2,0,0,0,0,0|2,0,0]=4 1147 B10R0.4 C=CCCCNCCC(C)C 34a_100000700776_100000210312 [2,0,0,0,0,0|2,0,0]=4 1148 B10R0.4 C=CCCCOCCC(C)C 34a_100000210254_100000757094 [2,0,0,0,0,0|2,0,0]=4 1149 B10R0.4 C=CCCCOCCC(C)C 34a_100000758997_100000210312 [2,0,0,0,0,0|2,0,0]=4 1150 B10R0.4 C=CCCCOCCC(C)C 7a_100000210254_100000757094 [2,0,0,0,0,0|2,0,0]=4 1151 B10R0.4 C=CCCCOCCC(C)C 7a_100000758997_100000210626 [2,0,0,0,0,0|2,0,0]=4 1152 B10R0.4 C=CCCCSCCC(C)C 62a_100000210312_100000757094 [2,0,0,0,0,0|2,0,0]=4 1153 B10R0.4 C=CCCCSCCC(C)C 62a_100011713584_100000210312 [2,0,0,0,0,0|2,0,0]=4 1154 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [2,0,0,0,0,0|2,0,0]=4 1155 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [2,0,0,0,0,0|2,0,0]=4 1156 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [2,0,0,0,0,0|2,0,0]=4 1157 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [2,0,0,0,0,0|2,0,0]=4 1158 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [2,0,0,0,0,0|2,0,0]=4 1159 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [2,0,0,0,0,0|2,0,0]=4 1160 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [2,0,0,0,0,0|2,0,0]=4 1161 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [2,0,0,0,0,0|2,0,0]=4 1162 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [2,0,0,0,0,0|2,0,0]=4 1163 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [2,0,0,0,0,0|2,0,0]=4 1164 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [2,0,0,0,0,0|2,0,0]=4 1165 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [2,0,0,0,0,0|2,0,0]=4 1166 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [2,0,0,0,0,0|2,0,0]=4 1167 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [2,0,0,0,0,0|2,0,0]=4 1168 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [2,0,0,0,0,0|2,0,0]=4 1169 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [2,0,0,0,0,0|2,0,0]=4 1170 B10R0.4 CC(C)CCCCCCN[13CH3] 2230a_100000211014_200025704644 [2,0,0,0,0,0|2,0,0]=4 1171 B10R0.4 CC(C)CCCCCCN[13CH3] 34a_100000211014_200025704644 [2,0,0,0,0,0|2,0,0]=4 1172 B10R0.4 CC(C)CCCCNCCO 2230a_100016997473_100011216152 [2,0,0,0,0,0|1,0,1]=4 1173 B10R0.4 CC(C)CCCCNCCO 34a_100016990907_100011216152 [2,0,0,0,0,0|1,0,1]=4 1174 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [2,0,0,0,0,0|1,0,0]=3 1175 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [2,0,0,0,0,0|1,0,0]=3 1176 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [2,0,0,0,0,0|1,0,1]=4 1177 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [2,0,0,0,0,0|1,0,1]=4 1178 B10R0.4 CC(C)CCCCSCC=O 62a_100011216152_200015260668 [2,0,0,0,0,0|1,0,0]=3 1179 B10R0.4 CC(C)CCCCSCC=O 62a_200015260668_100011216152 [2,0,0,0,0,0|1,0,0]=3 1180 B10R0.4 CC(C)CCCCSCCO 62a_100000211926_100011216152 [2,0,0,0,0,0|1,0,1]=4 1181 B10R0.4 CC(C)CCCCSCCO 62a_100011216152_100000211926 [2,0,0,0,0,0|1,0,1]=4 1182 B10R0.4 CC(C)CCCNCCCO 2230a_200000737386_100000230001 [2,0,0,0,0,0|1,0,1]=4 1183 B10R0.4 CC(C)CCCNCCCO 34a_200000737386_100000230001 [2,0,0,0,0,0|1,0,1]=4 1184 B10R0.4 CC(C)CCCOCCCO 34a_100000210774_100000230001 [2,0,0,0,0,0|1,0,1]=4 1185 B10R0.4 CC(C)CCCOCCCO 7a_100000210774_100011215043 [2,0,0,0,0,0|1,0,1]=4 1186 B10R0.4 CC(C)CCCSCCCO 62a_100011214892_100011215043 [2,0,0,0,0,0|1,0,1]=4 1187 B10R0.4 CC(C)CCCSCCCO 62a_100011215043_100011214892 [2,0,0,0,0,0|1,0,1]=4 1188 B10R0.4 CC(C)CCNCCCCO 2230a_100000750430_100000210312 [2,0,0,0,0,0|1,0,1]=4 1189 B10R0.4 CC(C)CCNCCCCO 269862a_100000750430_100000185833 [2,0,0,0,0,0|1,0,1]=4 1190 B10R0.4 CC(C)CCNCCCCO 34a_100000750430_100000210312 [2,0,0,0,0,0|1,0,1]=4 1191 B10R0.4 CC(C)CCOCCCC=O 7a_100000210254_200011292268 [2,0,0,0,0,0|1,0,0]=3 1192 B10R0.4 CC(C)CCOCCCCO 34a_100000210254_100011216708 [2,0,0,0,0,0|1,0,1]=4 1193 B10R0.4 CC(C)CCOCCCCO 7a_100000210254_100000210776 [2,0,0,0,0,0|1,0,1]=4 1194 B10R0.4 CC(C)CCSCCCC=O 62a_100000210312_200011292268 [2,0,0,0,0,0|1,0,0]=3 1195 B10R0.4 CC(C)CCSCCCC=O 62a_200011292268_100000210312 [2,0,0,0,0,0|1,0,0]=3 1196 B10R0.4 CC(C)CCSCCCCO 62a_100000210312_100000210776 [2,0,0,0,0,0|1,0,1]=4 1197 B10R0.4 CC(C)CCSCCCCO 62a_100000210776_100000210312 [2,0,0,0,0,0|1,0,1]=4 1198 B10R0.4 CC(C)CNCCCCC=O 2230a_100000210953_100000139335 [2,0,0,0,0,0|1,0,0]=3 1199 B10R0.4 CC(C)CNCCCCCO 2230a_100000210953_100000746330 [2,0,0,0,0,0|1,0,1]=4 1200 B10R0.4 CC(C)CNCCCCCO 2230a_100000762737_100000210760 [2,0,0,0,0,0|1,0,1]=4 1201 B10R0.4 CC(C)CNCCCCCO 270004a_100000762737_100000210432 [2,0,0,0,0,0|1,0,1]=4 1202 B10R0.4 CC(C)CNCCCCCO 34a_100000210953_100000746330 [2,0,0,0,0,0|1,0,1]=4 1203 B10R0.4 CC(C)CNCCCCCO 34a_100000762737_100000210624 [2,0,0,0,0,0|1,0,1]=4 1204 B10R0.4 CC(C)CNCCOCC=O 34a_100015185251_200009817547 [2,0,0,0,0,0|2,0,0]=4 1205 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [2,0,0,0,0,0|1,0,1]=4 1206 B10R0.4 CC(C)COCCOCC=O 34a_100000703358_200009817547 [2,0,0,0,0,0|2,0,0]=4 1207 B10R0.4 CC(C)COCCOCC=O 7a_100000703358_200015260668 [2,0,0,0,0,0|2,0,0]=4 1208 B10R0.4 CC(C)CSCCCCC=O 62a_100000139335_100000210760 [2,0,0,0,0,0|1,0,0]=3 1209 B10R0.4 CC(C)CSCCCCC=O 62a_100000210624_100000139335 [2,0,0,0,0,0|1,0,0]=3 1210 B10R0.4 CC(C)CSCCCCCO 62a_100000210624_100000746330 [2,0,0,0,0,0|1,0,1]=4 1211 B10R0.4 CC(C)CSCCCCCO 62a_100000746330_100000210760 [2,0,0,0,0,0|1,0,1]=4 1212 B10R0.4 CC(C)CSCCOCC=O 34a_200000230437_200009817547 [2,0,0,0,0,0|2,0,0]=4 1213 B10R0.4 CC(C)CSCCOCC=O 7a_200000230437_200015260668 [2,0,0,0,0,0|2,0,0]=4 1214 B10R0.4 CC(C)NCCCCCC=O 2230a_100138425928_100000139337 [2,0,0,0,0,0|1,0,0]=3 1215 B10R0.4 CC(C)NCCCCCCO 2230a_100000686447_100000210206 [2,0,0,0,0,0|1,0,1]=4 1216 B10R0.4 CC(C)NCCCCCCO 2230a_100138425928_100000766143 [2,0,0,0,0,0|1,0,1]=4 1217 B10R0.4 CC(C)NCCCCCCO 34a_100000686447_100000210206 [2,0,0,0,0,0|1,0,1]=4 1218 B10R0.4 CC(C)NCCCCCCO 34a_100138425928_100000766143 [2,0,0,0,0,0|1,0,1]=4 1219 B10R0.4 CC(C)NCCCOCC=O 34a_100000182298_200009817547 [2,0,0,0,0,0|2,0,0]=4 1220 B10R0.4 CC(C)OCCCCCCO 34a_100000212225_100000766143 [2,0,0,0,0,0|1,0,1]=4 1221 B10R0.4 CC(C)OCCCNCC=O 2230a_100000737246_200015260668 [2,0,0,0,0,0|2,0,0]=4 1222 B10R0.4 CC(C)OCCCNCC=O 34a_100000737246_200009817547 [2,0,0,0,0,0|2,0,0]=4 1223 B10R0.4 CC(C)OCSCCCC=O 62a_100000709892_200011292268 [2,0,0,0,0,0|2,0,0]=4 1224 B10R0.4 CC(C)OCSCCCC=O 62a_200011292268_100000709892 [2,0,0,0,0,0|2,0,0]=4 1225 B10R0.4 CC(C)SCCCCCC=O 62a_100000139337_100000210206 [2,0,0,0,0,0|1,0,0]=3 1226 B10R0.4 CC(C)SCCCCCC=O 62a_100000210206_100000139337 [2,0,0,0,0,0|1,0,0]=3 1227 B10R0.4 CC(C)SCCCCCCO 62a_100000210206_100000766143 [2,0,0,0,0,0|1,0,1]=4 1228 B10R0.4 CC(C)SCCCCCCO 62a_100000766143_100000210206 [2,0,0,0,0,0|1,0,1]=4 1229 B10R0.4 CC(O)CCNCCCC=O 2230a_200000755665_200011292268 [2,0,0,0,0,0|2,0,0]=4 1230 B10R0.4 CC(O)CCSCCCC=O 62a_100012276601_200011292268 [2,0,0,0,0,0|2,0,0]=4 1231 B10R0.4 CC(O)CCSCCCC=O 62a_200011292268_100012276601 [2,0,0,0,0,0|2,0,0]=4 1232 B10R0.4 CC(O)CNCCCCC=O 2230a_100000210904_100000139335 [2,0,0,0,0,0|2,0,0]=4 1233 B10R0.4 CC(O)CSCCCCC=O 62a_100000139335_100011218427 [2,0,0,0,0,0|2,0,0]=4 1234 B10R0.4 CC(O)CSCCCCC=O 62a_100011218427_100000139335 [2,0,0,0,0,0|2,0,0]=4 1235 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [2,0,0,0,0,0|1,0,0]=3 1236 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [2,0,0,0,0,0|1,0,0]=3 1237 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [2,0,0,0,0,0|1,0,0]=3 1238 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 1239 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 1240 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [2,0,0,0,0,0|2,0,0]=4 1241 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [2,0,0,0,0,0|2,0,0]=4 1242 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [2,0,0,0,0,0|2,0,0]=4 1243 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [2,0,0,0,0,0|2,0,0]=4 1244 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [2,0,0,0,0,0|1,0,0]=3 1245 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [2,0,0,0,0,0|2,0,0]=4 1246 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 1247 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [2,0,0,0,0,0|2,0,0]=4 1248 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [2,0,0,0,0,0|1,0,1]=4 1249 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [2,0,0,0,0,0|2,0,0]=4 1250 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [2,0,0,0,0,0|2,0,0]=4 1251 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [2,0,0,0,0,0|1,0,1]=4 1252 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [2,0,0,0,0,0|1,0,1]=4 1253 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [2,0,0,0,0,0|2,0,0]=4 1254 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [2,0,0,0,0,0|2,0,0]=4 1255 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [2,0,0,0,0,0|2,0,0]=4 1256 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [2,0,0,0,0,0|2,0,0]=4 1257 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [2,0,0,0,0,0|2,0,0]=4 1258 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [2,0,0,0,0,0|2,0,0]=4 1259 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [2,0,0,0,0,0|2,0,0]=4 1260 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [2,0,0,0,0,0|2,0,0]=4 1261 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [2,0,0,0,0,0|2,0,0]=4 1262 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [2,0,0,0,0,0|2,0,0]=4 1263 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [2,0,0,0,0,0|2,0,0]=4 1264 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [2,0,0,0,0,0|2,0,0]=4 1265 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [2,0,0,0,0,0|2,0,0]=4 1266 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [2,0,0,0,0,0|2,0,0]=4 1267 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [2,0,0,0,0,0|2,0,0]=4 1268 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [2,0,0,0,0,0|2,0,0]=4 1269 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [2,0,0,0,0,0|2,0,0]=4 1270 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [2,0,0,0,0,0|2,0,0]=4 1271 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [2,0,0,0,0,0|2,0,0]=4 1272 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [2,0,0,0,0,0|2,0,0]=4 1273 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 1274 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [2,0,0,0,0,0|2,0,0]=4 1275 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [2,0,0,0,0,0|2,0,0]=4 1276 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [2,0,0,0,0,0|2,0,0]=4 1277 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [2,0,0,0,0,0|2,0,0]=4 1278 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [2,0,0,0,0,0|2,0,0]=4 1279 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [2,0,0,0,0,0|2,0,0]=4 1280 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [2,0,0,0,0,0|2,0,0]=4 1281 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [2,0,0,0,0,0|2,0,0]=4 1282 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [2,0,0,0,0,0|2,0,0]=4 1283 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 1284 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [2,0,0,0,0,0|2,0,0]=4 1285 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [2,0,0,0,0,0|2,0,0]=4 1286 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [2,0,0,0,0,0|2,0,0]=4 1287 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [2,0,0,0,0,0|2,0,0]=4 1288 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [2,0,0,0,0,0|2,0,0]=4 1289 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 1290 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [2,0,0,0,0,0|2,0,0]=4 1291 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [2,0,0,0,0,0|2,0,0]=4 1292 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [2,0,0,0,0,0|1,0,1]=4 1293 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [2,0,0,0,0,0|2,0,0]=4 1294 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [2,0,0,0,0,0|2,0,0]=4 1295 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [2,0,0,0,0,0|2,0,0]=4 1296 B10R0.4 CN(C)CCCCCCCO 2230a_100102631434_100000760002 [2,0,0,0,0,0|1,0,1]=4 1297 B10R0.4 CN(C)CCCCCCCO 269982a_100102631434_100000760002 [2,0,0,0,0,0|1,0,1]=4 1298 B10R0.4 CN(C)CCCCSCC=O 62a_200015260668_100000690147 [2,0,0,0,0,0|2,0,0]=4 1299 B10R0.4 CN(C)CCSCCCC=O 62a_200011292268_100000755713 [2,0,0,0,0,0|2,0,0]=4 1300 B10R0.4 CNCCCCCCC(C)C 2230a_100000211014_200000210301 [2,0,0,0,0,0|2,0,0]=4 1301 B10R0.4 CNCCCCCCC(C)C 34a_100000211014_200000210301 [2,0,0,0,0,0|2,0,0]=4 1302 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [2,0,0,0,0,0|2,0,0]=4 1303 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [2,0,0,0,0,0|2,0,0]=4 1304 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100000139335_100009817552 [2,0,0,0,0,0|2,0,0]=4 1305 B10R0.4 C[C@@H](O)CSCCCCC=O 62a_100009817552_100000139335 [2,0,0,0,0,0|2,0,0]=4 1306 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [2,0,0,0,0,0|2,0,0]=4 1307 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [2,0,0,0,0,0|2,0,0]=4 1308 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [2,0,0,0,0,0|2,0,0]=4 1309 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [2,0,0,0,0,0|1,0,0]=3 1310 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [2,0,0,0,0,0|1,0,0]=3 1311 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [2,0,0,0,0,0|2,0,0]=4 1312 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [2,0,0,0,0,0|2,0,0]=4 1313 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [2,0,0,0,0,0|1,0,0]=3 1314 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [2,0,0,0,0,0|2,0,0]=4 1315 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [2,0,0,0,0,0|2,0,0]=4 1316 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [2,0,0,0,0,0|2,0,0]=4 1317 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [2,0,0,0,0,0|1,0,1]=4 1318 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [2,0,0,0,0,0|2,0,0]=4 1319 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [2,0,0,0,0,0|2,0,0]=4 1320 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [2,0,0,0,0,0|1,0,1]=4 1321 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [2,0,0,0,0,0|1,0,1]=4 1322 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [2,0,0,0,0,0|2,0,0]=4 1323 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [2,0,0,0,0,0|2,0,0]=4 1324 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [2,0,0,0,0,0|2,0,0]=4 1325 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [2,0,0,0,0,0|2,0,0]=4 1326 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [2,0,0,0,0,0|2,0,0]=4 1327 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [2,0,0,0,0,0|2,0,0]=4 1328 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [2,0,0,0,0,0|2,0,0]=4 1329 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [2,0,0,0,0,0|2,0,0]=4 1330 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [2,0,0,0,0,0|2,0,0]=4 1331 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [2,0,0,0,0,0|2,0,0]=4 1332 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [2,0,0,0,0,0|2,0,0]=4 1333 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [2,0,0,0,0,0|2,0,0]=4 1334 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [2,0,0,0,0,0|2,0,0]=4 1335 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [2,0,0,0,0,0|2,0,0]=4 1336 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [2,0,0,0,0,0|2,0,0]=4 1337 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [2,0,0,0,0,0|2,0,0]=4 1338 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [2,0,0,0,0,0|2,0,0]=4 1339 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [2,0,0,0,0,0|2,0,0]=4 1340 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [2,0,0,0,0,0|2,0,0]=4 1341 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [2,0,0,0,0,0|1,0,0]=3 1342 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [2,0,0,0,0,0|1,0,1]=4 1343 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [2,0,0,0,0,0|1,0,1]=4 1344 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [2,0,0,0,0,0|1,0,1]=4 1345 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [2,0,0,0,0,0|1,0,1]=4 1346 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [2,0,0,0,0,0|1,0,0]=3 1347 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [2,0,0,0,0,0|1,0,0]=3 1348 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [2,0,0,0,0,0|1,0,1]=4 1349 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [2,0,0,0,0,0|1,0,1]=4 1350 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [2,0,0,0,0,0|1,0,0]=3 1351 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [2,0,0,0,0,0|1,0,0]=3 1352 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [2,0,0,0,0,0|1,0,1]=4 1353 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [2,0,0,0,0,0|1,0,1]=4 1354 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [2,0,0,0,0,0|1,0,1]=4 1355 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [2,0,0,0,0,0|1,0,1]=4 1356 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [2,0,0,0,0,0|1,0,1]=4 1357 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [2,0,0,0,0,0|1,0,1]=4 1358 B10R0.91 CCCNC[C@H](C)CCCO 2230a_100160569302_100000210303 [2,0,0,0,0,0|1,0,1]=4 1359 B10R0.91 CCCNC[C@H](C)CCCO 34a_100160569302_100000210303 [2,0,0,0,0,0|1,0,1]=4 1360 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [2,0,0,0,0,0|2,0,0]=4 1361 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [2,0,0,0,0,0|2,0,0]=4 1362 B10R0.3 C=CCC(C)COCC(C)C 34a_100009832082_100000210624 [2,0,0,0,0,0|1,0,1]=4 1363 B10R0.3 C=CCC(C)COCC(C)C 7a_100009832082_100000210760 [2,0,0,0,0,0|1,0,1]=4 1364 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [2,0,0,0,0,0|1,0,1]=4 1365 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [2,0,0,0,0,0|1,0,1]=4 1366 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [2,0,0,0,0,0|1,0,1]=4 1367 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [2,0,0,0,0,0|1,0,1]=4 1368 B10R0.3 CC(Br)CCOC(C)CCO 34a_100009893172_100009893172 [2,0,0,0,0,0|2,0,0]=4 1369 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [2,0,0,0,0,0|1,0,1]=4 1370 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [2,0,0,0,0,0|1,0,1]=4 1371 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [2,0,0,0,0,0|2,0,0]=4 1372 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [2,0,0,0,0,0|2,0,0]=4 1373 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [2,0,0,0,0,0|1,0,0]=3 1374 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [2,0,0,0,0,0|1,0,0]=3 1375 B10R0.3 CC(C)CCN[C@H](C)CCO 2230a_100000706166_100000210312 [2,0,0,0,0,0|1,0,0]=3 1376 B10R0.3 CC(C)CCN[C@H](C)CCO 269862a_100000706166_100000185833 [2,0,0,0,0,0|1,0,0]=3 1377 B10R0.3 CC(C)CCN[C@H](C)CCO 34a_100000706166_100000210312 [2,0,0,0,0,0|1,0,0]=3 1378 B10R0.3 CC(C)CCOC(C)CCBr 34a_100012276601_100000210312 [2,0,0,0,0,0|2,0,0]=4 1379 B10R0.3 CC(C)CCOC(C)CCO 34a_100000210254_100009893172 [2,0,0,0,0,0|1,0,0]=3 1380 B10R0.3 CC(C)CCOC(C)CCO 7a_100000210254_100009893172 [2,0,0,0,0,0|1,0,0]=3 1381 B10R0.3 CC(C)CCSC(C)CCO 62a_100000210312_100009893172 [2,0,0,0,0,0|1,0,0]=3 1382 B10R0.3 CC(C)CCSC(C)CCO 62a_100009893172_100000210312 [2,0,0,0,0,0|1,0,0]=3 1383 B10R0.3 CC(C)COCC(C)CCN 34a_106354213184_100000210624 [2,0,0,0,0,0|2,0,0]=4 1384 B10R0.3 CC(C)OCCN(C)CCO 2230a_100000210263_100000211751 [2,0,0,0,0,0|2,0,0]=4 1385 B10R0.3 CC(C)OCCN(C)CCO 269982a_100000210263_100000211751 [2,0,0,0,0,0|2,0,0]=4 1386 B10R0.3 CC(C)OCN[C@H](C)CCO 2230a_100000706166_100000709892 [2,0,0,0,0,0|2,0,0]=4 1387 B10R0.3 CC(C)OCN[C@H](C)CCO 34a_100000706166_100000709892 [2,0,0,0,0,0|2,0,0]=4 1388 B10R0.3 CC(C)OCSC(C)CCO 62a_100000709892_100009893172 [2,0,0,0,0,0|2,0,0]=4 1389 B10R0.3 CC(C)OCSC(C)CCO 62a_100009893172_100000709892 [2,0,0,0,0,0|2,0,0]=4 1390 B10R0.3 CC(C)SCCN(C)CCO 2230a_100000210263_100000730970 [2,0,0,0,0,0|2,0,0]=4 1391 B10R0.3 CC(C)SCCN(C)CCO 269982a_100000210263_100000730970 [2,0,0,0,0,0|2,0,0]=4 1392 B10R0.3 CC(CCO)OCC[C@@H](C)N 34a_100000706166_100009893172 [2,0,0,0,0,0|2,0,0]=4 1393 B10R0.3 CC(CCO)SCCN(C)C 62a_100009893172_100000755713 [2,0,0,0,0,0|2,0,0]=4 1394 B10R0.3 CC(O)CCCN(C)CCO 2230a_100000210263_200000718107 [2,0,0,0,0,0|2,0,0]=4 1395 B10R0.3 CC(O)CCCN(C)CCO 269982a_100000210263_200000718107 [2,0,0,0,0,0|2,0,0]=4 1396 B10R0.3 CC(O)CCNC(C)CCO 2230a_200000755665_100009893172 [2,0,0,0,0,0|2,0,0]=4 1397 B10R0.3 CC(O)CCN[C@H](C)CCO 2230a_100000706166_100012276601 [2,0,0,0,0,0|2,0,0]=4 1398 B10R0.3 CC(O)CCN[C@H](C)CCO 34a_100000706166_100012276601 [2,0,0,0,0,0|2,0,0]=4 1399 B10R0.3 CC(O)CCSC(C)CCO 62a_100009893172_100012276601 [2,0,0,0,0,0|2,0,0]=4 1400 B10R0.3 CC(O)CCSC(C)CCO 62a_100012276601_100009893172 [2,0,0,0,0,0|2,0,0]=4 1401 B10R0.3 CCCC(C)CCOC(C)C 34a_100011217855_100000210206 [2,0,0,0,0,0|1,0,1]=4 1402 B10R0.3 CCCC(C)CCOC(C)C 7a_100011217855_100000210206 [2,0,0,0,0,0|1,0,1]=4 1403 B10R0.3 CCCC(C)CNCC(C)C 2230a_100000210953_100011216630 [2,0,0,0,0,0|1,0,1]=4 1404 B10R0.3 CCCC(C)CNCC(C)C 270004a_100000210953_100000243154 [2,0,0,0,0,0|1,0,1]=4 1405 B10R0.3 CCCC(C)CNCC(C)C 34a_100000210953_100011216630 [2,0,0,0,0,0|1,0,1]=4 1406 B10R0.3 CCCC(C)COCC(C)C 34a_100000210257_100011216630 [2,0,0,0,0,0|1,0,1]=4 1407 B10R0.3 CCCC(C)COCC(C)C 34a_100000688023_100000210624 [2,0,0,0,0,0|1,0,1]=4 1408 B10R0.3 CCCC(C)COCC(C)C 7a_100000688023_100000210760 [2,0,0,0,0,0|1,0,1]=4 1409 B10R0.3 CCCC(C)CSCC(C)C 62a_100000210624_100011216630 [2,0,0,0,0,0|1,0,1]=4 1410 B10R0.3 CCCC(C)CSCC(C)C 62a_100011216630_100000210760 [2,0,0,0,0,0|1,0,1]=4 1411 B10R0.3 CCCC(C)NCCC(C)C 2230a_100000741246_100000210312 [2,0,0,0,0,0|1,0,1]=4 1412 B10R0.3 CCCC(C)NCCC(C)C 269862a_100000741246_100000185833 [2,0,0,0,0,0|1,0,1]=4 1413 B10R0.3 CCCC(C)NCCC(C)C 270004a_100000210545_100000211909 [2,0,0,0,0,0|1,0,1]=4 1414 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [2,0,0,0,0,0|1,0,1]=4 1415 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [2,0,0,0,0,0|1,0,1]=4 1416 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [2,0,0,0,0,0|1,0,1]=4 1417 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [2,0,0,0,0,0|1,0,1]=4 1418 B10R0.3 CCCC(C)SCCC(C)C 62a_100000210312_100000766640 [2,0,0,0,0,0|1,0,1]=4 1419 B10R0.3 CCCC(C)SCCC(C)C 62a_100000766640_100000210312 [2,0,0,0,0,0|1,0,1]=4 1420 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [2,0,0,0,0,0|1,0,1]=4 1421 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [2,0,0,0,0,0|1,0,1]=4 1422 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [2,0,0,0,0,0|1,0,1]=4 1423 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [2,0,0,0,0,0|1,0,1]=4 1424 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [2,0,0,0,0,0|1,0,1]=4 1425 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [2,0,0,0,0,0|1,0,1]=4 1426 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [2,0,0,0,0,0|2,0,0]=4 1427 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000210263_100000757444 [2,0,0,0,0,0|2,0,0]=4 1428 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000225831_100000211926 [2,0,0,0,0,0|2,0,0]=4 1429 B12R0.42 CC(=O)C(C)COCCCC(C)C 34a_100000032740_100011214892 [1,1,0,0,0,0|2,0,0]=4 1430 B12R0.42 CC(=O)C(C)COCCCC(C)C 7a_100000032740_100011214892 [1,1,0,0,0,0|2,0,0]=4 1431 B12R0.42 CC(=O)C(C)OCCCCC(C)C 34a_100000212229_100011216152 [1,1,0,0,0,0|2,0,0]=4 1432 B12R0.42 CC(=O)C(C)OCCCCC(C)C 7a_100011214890_100000179758 [1,1,0,0,0,0|2,0,0]=4 1433 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100009814033_100011216152 [1,1,0,0,0,0|2,0,0]=4 1434 B12R0.42 CC(=O)C(C)SCCCCC(C)C 62a_100011216152_100009814033 [1,1,0,0,0,0|2,0,0]=4 1435 B12R0.42 CC(=O)CCCCOC(C)C(C)C 7a_100000748068_100000735457 [1,1,0,0,0,0|2,0,0]=4 1436 B12R0.42 CC(=O)CCCNCC(O)C(C)C 34a_100000759067_100000685027 [1,1,0,0,0,0|2,0,0]=4 1437 B12R0.42 CC(=O)CCCOC[C@H](N)C(C)C 34a_100011830312_100000685027 [1,1,0,0,0,0|2,0,0]=4 1438 B12R0.42 CC(C)C(=O)CCCCCC(=O)N 1458a_100000210198_100009817443 [1,1,0,0,0,0|1,0,1]=4 1439 B12R0.42 CC(C)C(N)CCOCCC(=O)N 34a_100161115045_100000731001 [1,1,0,0,0,0|2,0,0]=4 1440 B12R0.42 CC(C)C(O)CNCCCC(=O)N 34a_100000759067_100102525003 [1,1,0,0,0,0|2,0,0]=4 1441 B12R0.42 CC(C)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216152 [1,1,0,0,0,0|1,0,0]=3 1442 B12R0.42 CC(C)CCCCN[C@H](C)C(=O)N 2230a_100000119354_100011216152 [1,1,0,0,0,0|2,0,0]=4 1443 B12R0.42 CC(C)CCCCN[C@H](C)C(=O)N 34a_100000119354_100011216152 [1,1,0,0,0,0|2,0,0]=4 1444 B12R0.42 CC(C)CCCCOC(C)C(=O)N 34a_100011214890_100000702099 [1,1,0,0,0,0|2,0,0]=4 1445 B12R0.42 CC(C)CCCCOC(C)C(=O)N 7a_100011214890_100000702099 [1,1,0,0,0,0|2,0,0]=4 1446 B12R0.42 CC(C)CCCCOC(F)C(=O)N 34a_100011214890_100009813875 [1,1,0,0,0,0|2,0,0]=4 1447 B12R0.42 CC(C)CCCCOC(F)C(=O)N 7a_100011214890_100009813875 [1,1,0,0,0,0|2,0,0]=4 1448 B12R0.42 CC(C)CCCCOC(F)C(=O)[O-] 34a_100011214890_100020610796 [1,1,0,0,0,0|1,0,1]=4 1449 B12R0.42 CC(C)CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011216152 [1,1,0,0,0,0|1,0,1]=4 1450 B12R0.42 CC(C)CCCCO[C@H](C)C(=O)N 34a_100000731257_100011216152 [1,1,0,0,0,0|2,0,0]=4 1451 B12R0.42 CC(C)CCCCO[C@H](C)C(=O)N 7a_100000731257_100011216152 [1,1,0,0,0,0|2,0,0]=4 1452 B12R0.42 CC(C)CCCCSC(C)C(=O)N 62a_100000702099_100011216152 [1,1,0,0,0,0|2,0,0]=4 1453 B12R0.42 CC(C)CCCCSC(C)C(=O)N 62a_100011216152_100000702099 [1,1,0,0,0,0|2,0,0]=4 1454 B12R0.42 CC(C)CCCCSC(F)C(=O)N 62a_100009813875_100011216152 [1,1,0,0,0,0|2,0,0]=4 1455 B12R0.42 CC(C)CCCCSC(F)C(=O)N 62a_100011216152_100009813875 [1,1,0,0,0,0|2,0,0]=4 1456 B12R0.42 CC(C)CCCCSC(F)C(=O)[O-] 62a_100011216152_100020610796 [1,1,0,0,0,0|1,0,1]=4 1457 B12R0.42 CC(C)CCCCSC(F)C(=O)[O-] 62a_100020610796_100011216152 [1,1,0,0,0,0|1,0,1]=4 1458 B12R0.42 CC(C)CCCNCC(C)C(=O)O 269956a_100000749485_100011214892 [1,1,0,0,0,0|1,0,0]=3 1459 B12R0.42 CC(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011214892 [1,1,0,0,0,0|1,0,0]=3 1460 B12R0.42 CC(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100011214892 [1,1,0,0,0,0|2,0,0]=4 1461 B12R0.42 CC(C)N(C)CCCCCC(=O)N 269982a_200000211004_100009817443 [1,1,0,0,0,0|2,0,0]=4 1462 B12R0.42 CC(C)OCCNCC(C)C(=O)O 269956a_100000749485_100000211751 [1,1,0,0,0,0|2,0,0]=4 1463 B12R0.42 CC(C)OCCNCC(F)C(=O)O 269956a_100000084737_100000211751 [1,1,0,0,0,0|2,0,0]=4 1464 B12R0.42 CC(C)SCCNCC(C)C(=O)O 269956a_100000749485_100000730970 [1,1,0,0,0,0|2,0,0]=4 1465 B12R0.42 CC(C)SCCNCC(F)C(=O)O 269956a_100000084737_100000730970 [1,1,0,0,0,0|2,0,0]=4 1466 B12R0.42 CC(C)[C@@H](N)COCCCC(=O)N 34a_100011830312_100102525003 [1,1,0,0,0,0|2,0,0]=4 1467 B12R0.42 CC(CNCCCN(C)C)C(=O)O 269956a_100000749485_100000757444 [1,1,0,0,0,0|2,0,0]=4 1468 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [1,1,0,0,0,0|2,0,0]=4 1469 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [1,1,0,0,0,0|2,0,0]=4 1470 B12R0.42 CN(C)CCCNCC(F)C(=O)O 269956a_100000084737_100000757444 [1,1,0,0,0,0|2,0,0]=4 1471 B12R0.42 C[C@H](NCCCCN(C)C)C(=O)O 269956a_100000743915_100000690147 [1,1,0,0,0,0|2,0,0]=4 1472 B12R0.137 CC(=O)CCCCCC[N+](C)(C)C 1458a_100000070787_100009996864 [1,1,0,0,0,0|2,0,0]=4 1473 B12R0.137 CC(=O)CCCCOCC(C)(C)F 34a_100000716592_100009817362 [1,1,0,0,0,0|2,0,0]=4 1474 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100000735457_100011219605 [1,1,0,0,0,0|2,0,0]=4 1475 B12R0.137 CC(=O)CCCCSCC(C)(C)C 62a_100011219605_100000735457 [1,1,0,0,0,0|2,0,0]=4 1476 B12R0.137 CC(=O)CCCCSCC(C)(C)F 62a_100000735457_100011997219 [1,1,0,0,0,0|2,0,0]=4 1477 B12R0.137 CC(=O)CCCCSCC(C)(C)F 62a_100011997219_100000735457 [1,1,0,0,0,0|2,0,0]=4 1478 B12R0.137 CC(=O)CCCCSCC(C)(C)O 62a_100000735457_100000764493 [1,1,0,0,0,0|2,0,0]=4 1479 B12R0.137 CC(=O)CCCCSCC(C)(C)O 62a_100000764493_100000735457 [1,1,0,0,0,0|2,0,0]=4 1480 B12R0.137 CC(=O)CCCOCCC(C)(C)C 34a_100000759063_100000755188 [1,1,0,0,0,0|2,0,0]=4 1481 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000759063_100000755188 [1,1,0,0,0,0|2,0,0]=4 1482 B12R0.137 CC(=O)CCCOCCC(C)(C)C 7a_100000765024_100011215641 [1,1,0,0,0,0|2,0,0]=4 1483 B12R0.137 CC(=O)CCCOCCC(C)(C)O 34a_100000759063_100000702414 [1,1,0,0,0,0|2,0,0]=4 1484 B12R0.137 CC(=O)CCCOCCC(C)(C)O 7a_100000759063_100000702414 [1,1,0,0,0,0|2,0,0]=4 1485 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100000755188_100011215641 [1,1,0,0,0,0|2,0,0]=4 1486 B12R0.137 CC(=O)CCCSCCC(C)(C)C 62a_100011215641_100000755188 [1,1,0,0,0,0|2,0,0]=4 1487 B12R0.137 CC(=O)CCCSCCC(C)(C)O 62a_100000702414_100011215641 [1,1,0,0,0,0|2,0,0]=4 1488 B12R0.137 CC(=O)CCCSCCC(C)(C)O 62a_100011215641_100000702414 [1,1,0,0,0,0|2,0,0]=4 1489 B12R0.137 CC(=O)CCOCCCC(C)(C)O 34a_100000759926_100009888830 [1,1,0,0,0,0|2,0,0]=4 1490 B12R0.137 CC(=O)CCOCCCC(C)(C)O 7a_100000759926_100009888830 [1,1,0,0,0,0|2,0,0]=4 1491 B12R0.137 CC(=O)CCSCCCC(C)(C)O 62a_100000053229_100009888830 [1,1,0,0,0,0|2,0,0]=4 1492 B12R0.137 CC(=O)CCSCCCC(C)(C)O 62a_100009888830_100000053229 [1,1,0,0,0,0|2,0,0]=4 1493 B12R0.137 CC(C)(C)CCNCCCC(=O)N 34a_100000739312_100000755188 [1,1,0,0,0,0|2,0,0]=4 1494 B12R0.137 CC(C)(C)CCOCCCC(=O)N 7a_100000765024_100102525003 [1,1,0,0,0,0|2,0,0]=4 1495 B12R0.137 CC(C)(C)CCSCCCC(=O)N 62a_100000755188_100102525003 [1,1,0,0,0,0|2,0,0]=4 1496 B12R0.137 CC(C)(C)CCSCCCC(=O)N 62a_100102525003_100000755188 [1,1,0,0,0,0|2,0,0]=4 1497 B12R0.137 CC(C)(C)CNCCCCC(=O)N 270004a_100000696515_100011204126 [1,1,0,0,0,0|2,0,0]=4 1498 B12R0.137 CC(C)(C)CNCCCCC(=O)N 34a_100000696515_100011219605 [1,1,0,0,0,0|2,0,0]=4 1499 B12R0.137 CC(C)(C)CNCCOCC(=O)O 269956a_100000700818_100011219605 [1,1,0,0,0,0|2,0,0]=4 1500 B12R0.137 CC(C)(C)COCCCCC(=O)N 34a_100012022536_100011219605 [1,1,0,0,0,0|2,0,0]=4 1501 B12R0.137 CC(C)(C)NCCCCCC(=O)N 2230a_100000715429_100009817443 [1,1,0,0,0,0|2,0,0]=4 1502 B12R0.137 CC(C)(C)OCCCCCC(=O)N 34a_100000123541_100000210625 [1,1,0,0,0,0|2,0,0]=4 1503 B12R0.137 CC(C)(C)OCCCCCC(=O)N 34a_100015890283_100009817443 [1,1,0,0,0,0|2,0,0]=4 1504 B12R0.137 CC(C)(C)OCCCCCC(=O)N 7a_100015890283_100009817443 [1,1,0,0,0,0|2,0,0]=4 1505 B12R0.137 CC(C)(C)SCCCCCC(=O)N 62a_100000211941_100009817443 [1,1,0,0,0,0|2,0,0]=4 1506 B12R0.137 CC(C)(C)SCCCCCC(=O)N 62a_100009817443_100000211941 [1,1,0,0,0,0|2,0,0]=4 1507 B12R0.137 CC(C)(F)CNCCCCC(=O)N 34a_100000696515_100011997219 [1,1,0,0,0,0|2,0,0]=4 1508 B12R0.137 CC(C)(F)CNCCOCC(=O)O 269956a_100000700818_100011997219 [1,1,0,0,0,0|2,0,0]=4 1509 B12R0.137 CC(C)(F)COCCCCC(=O)N 34a_100012022536_100011997219 [1,1,0,0,0,0|2,0,0]=4 1510 B12R0.137 CC(C)(O)CCCNOCC(=O)O 269956a_100000106656_100009888830 [1,1,0,0,0,0|2,0,0]=4 1511 B12R0.137 CC(C)(O)CCCOCCC(=O)N 34a_100000757172_100009888830 [1,1,0,0,0,0|2,0,0]=4 1512 B12R0.137 CC(C)(O)CCCOCCC(=O)N 7a_100000757172_100009888830 [1,1,0,0,0,0|2,0,0]=4 1513 B12R0.137 CC(C)(O)CCCSCCC(=O)N 62a_100000744528_100009888830 [1,1,0,0,0,0|2,0,0]=4 1514 B12R0.137 CC(C)(O)CCCSCCC(=O)N 62a_100009888830_100000744528 [1,1,0,0,0,0|2,0,0]=4 1515 B12R0.137 CC(C)(O)CCNCCCC(=O)N 34a_100000739312_100000702414 [1,1,0,0,0,0|2,0,0]=4 1516 B12R0.137 CC(C)(O)CCSCCCC(=O)N 62a_100000702414_100102525003 [1,1,0,0,0,0|2,0,0]=4 1517 B12R0.137 CC(C)(O)CCSCCCC(=O)N 62a_100102525003_100000702414 [1,1,0,0,0,0|2,0,0]=4 1518 B12R0.137 CC(C)(O)CNCCCCC(=O)N 34a_100000696515_100000764493 [1,1,0,0,0,0|2,0,0]=4 1519 B12R0.137 CC(C)(O)CNCCOCC(=O)O 269956a_100000700818_100000764493 [1,1,0,0,0,0|2,0,0]=4 1520 B12R0.137 CC(C)(O)COCCCCC(=O)N 34a_100012022536_100000764493 [1,1,0,0,0,0|2,0,0]=4 1521 B12R0.137 CC(C)(O)COCCCCC(=O)N 7a_100012022536_100000764493 [1,1,0,0,0,0|2,0,0]=4 1522 B12R0.184 C=CC(=O)NCCCCCC(C)C 1626a_100011290863_100000185746 [1,1,0,0,0,0|2,0,0]=4 1523 B12R0.184 C=CC(=O)NCCCCCC(C)C 240690a_100011290863_200121576911 [1,1,0,0,0,0|2,0,0]=4 1524 B12R0.184 CC(=O)CCCCNCC(C)CO 34a_100000744482_100009817362 [1,1,0,0,0,0|2,0,0]=4 1525 B12R0.184 CC(=O)CCCCOCC(C)CN 34a_100000744482_100009817362 [1,1,0,0,0,0|2,0,0]=4 1526 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000059175_100000735457 [1,1,0,0,0,0|2,0,0]=4 1527 B12R0.184 CC(=O)CCCCSC[C@@H](C)CO 62a_100000735457_100000059175 [1,1,0,0,0,0|2,0,0]=4 1528 B12R0.184 CC(=O)CCCNCCC(C)CO 34a_106354213184_100000685027 [1,1,0,0,0,0|2,0,0]=4 1529 B12R0.184 CC(C)CCCCCCC(=O)CF 1458a_100000040743_100015361967 [1,1,0,0,0,0|1,0,0]=3 1530 B12R0.184 CC(C)CCCCCNC(=O)CO 240690a_100011290863_100000210174 [1,1,0,0,0,0|1,0,0]=3 1531 B12R0.184 CC(C)CCCCCNC(=O)CO 527a_100011290863_100000210174 [1,1,0,0,0,0|1,0,0]=3 1532 B12R0.184 CC(C)CCCOCCC(=NO)N 34a_100000749954_100011214892 [1,1,0,0,0,0|2,0,0]=4 1533 B12R0.184 CC(C)CCOCCCC(=O)NN 34a_100000211488_100000210312 [1,1,0,0,0,0|2,0,0]=4 1534 B12R0.184 CC(C)COCCCNC(=O)CO 240690a_100000205972_100000210174 [1,1,0,0,0,0|2,0,0]=4 1535 B12R0.184 CC(C)COCCCNC(=O)CO 527a_100000205972_100000210174 [1,1,0,0,0,0|2,0,0]=4 1536 B12R0.184 CC(CF)OCCCCCC(=O)N 34a_100016041109_100009817443 [1,1,0,0,0,0|2,0,0]=4 1537 B12R0.184 CC(CF)OCCCCCC(=O)N 7a_100016041109_100009817443 [1,1,0,0,0,0|2,0,0]=4 1538 B12R0.184 CC(CN)OCCCCCC(=O)N 34a_100000210904_100009817443 [1,1,0,0,0,0|2,0,0]=4 1539 B12R0.184 CC(CO)CCNCCCC(=O)N 34a_106354213184_100102525003 [1,1,0,0,0,0|2,0,0]=4 1540 B12R0.184 CC(CO)OCCCCCC(=O)N 34a_100000123541_100012180447 [1,1,0,0,0,0|2,0,0]=4 1541 B12R0.184 CC(CO)OCCCCCC(=O)N 7a_100000123541_100012180447 [1,1,0,0,0,0|2,0,0]=4 1542 B12R0.184 CC(CO)OCCCCCC(=O)[O-] 7a_100102619762_100012180447 [1,1,0,0,0,0|1,0,1]=4 1543 B12R0.184 CC(CO)SCCCCCC(=O)N 62a_100012180447_100009817443 [1,1,0,0,0,0|2,0,0]=4 1544 B12R0.184 CCC(=O)CCCCCCC(C)C 1458a_100000040743_100000210202 [1,1,0,0,0,0|1,0,0]=3 1545 B12R0.184 CCC(=O)COCCCCC(C)C 34a_100000725409_100011216152 [1,1,0,0,0,0|2,0,0]=4 1546 B12R0.184 CCC(=O)COCCCCC(C)C 7a_100011214890_100000747405 [1,1,0,0,0,0|2,0,0]=4 1547 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100000747405_100011216152 [1,1,0,0,0,0|2,0,0]=4 1548 B12R0.184 CCC(=O)CSCCCCC(C)C 62a_100011216152_100000747405 [1,1,0,0,0,0|2,0,0]=4 1549 B12R0.184 CCC(=O)NCCCCCC(C)C 1626a_100011290863_100000210414 [1,1,0,0,0,0|2,0,0]=4 1550 B12R0.184 CCC(=O)NCCCCCC(C)C 240690a_100011290863_100000210414 [1,1,0,0,0,0|2,0,0]=4 1551 B12R0.184 CCC(=O)NCCCCCC(C)C 527a_100011290863_100000210414 [1,1,0,0,0,0|2,0,0]=4 1552 B12R0.184 CCC(C)CCCOCCC(=O)C 7a_100011216074_100000053229 [1,1,0,0,0,0|2,0,0]=4 1553 B12R0.184 CCC(C)CCCOCCC(=O)N 7a_100011216074_100000744528 [1,1,0,0,0,0|2,0,0]=4 1554 B12R0.184 CCC(C)CCOCCCC(=O)C 7a_100011215188_100011215641 [1,1,0,0,0,0|2,0,0]=4 1555 B12R0.184 CCC(C)CCOCCCC(=O)N 7a_100011215188_100102525003 [1,1,0,0,0,0|2,0,0]=4 1556 B12R0.184 CCC(C)CNCCCCC(=O)N 270004a_100000696515_100000243153 [1,1,0,0,0,0|2,0,0]=4 1557 B12R0.184 CCC(C)CNCCCCC(=O)N 34a_100000696515_100000748023 [1,1,0,0,0,0|2,0,0]=4 1558 B12R0.184 CCC(C)CNCCOCC(=O)O 269956a_100000700818_100000748023 [1,1,0,0,0,0|2,0,0]=4 1559 B12R0.184 CCC(C)COCCCCC(=O)N 34a_100012022536_100000748023 [1,1,0,0,0,0|2,0,0]=4 1560 B12R0.184 CCC(C)COCCCCC(=O)N 7a_100012022536_100000748023 [1,1,0,0,0,0|2,0,0]=4 1561 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000735457_100000748023 [1,1,0,0,0,0|2,0,0]=4 1562 B12R0.184 CCC(C)CSCCCCC(=O)C 62a_100000748023_100000735457 [1,1,0,0,0,0|2,0,0]=4 1563 B12R0.184 CCC(C)NCCCCCC(=O)N 2230a_100000209981_100009817443 [1,1,0,0,0,0|2,0,0]=4 1564 B12R0.184 CCC(C)OCCCCCC(=O)N 34a_100000123541_100011215416 [1,1,0,0,0,0|2,0,0]=4 1565 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000123541_100000758301 [1,1,0,0,0,0|2,0,0]=4 1566 B12R0.184 CCC(C)OCCCCCC(=O)N 7a_100000210228_100009817443 [1,1,0,0,0,0|2,0,0]=4 1567 B12R0.184 CCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100000758301 [1,1,0,0,0,0|1,0,1]=4 1568 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100000758301_100009817443 [1,1,0,0,0,0|2,0,0]=4 1569 B12R0.184 CCC(C)SCCCCCC(=O)N 62a_100009817443_100000758301 [1,1,0,0,0,0|2,0,0]=4 1570 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 34a_100000696515_100009816398 [1,1,0,0,0,0|2,0,0]=4 1571 B12R0.184 CC[C@H](C)CNCCOCC(=O)O 269956a_100000700818_100009816398 [1,1,0,0,0,0|2,0,0]=4 1572 B12R0.184 CC[C@H](C)COCCCCC(=O)C 7a_100009816381_100000735457 [1,1,0,0,0,0|2,0,0]=4 1573 B12R0.184 CC[C@H](C)COCCCCC(=O)N 34a_100012022536_100009816398 [1,1,0,0,0,0|2,0,0]=4 1574 B12R0.184 CC[C@H](C)COCCCCC(=O)N 7a_100012022536_100009816398 [1,1,0,0,0,0|2,0,0]=4 1575 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100000735457_100009816398 [1,1,0,0,0,0|2,0,0]=4 1576 B12R0.184 CC[C@H](C)CSCCCCC(=O)C 62a_100009816398_100000735457 [1,1,0,0,0,0|2,0,0]=4 1577 B12R0.184 CN(C)CCCCCNC(=O)CO 240690a_100020635752_100000210174 [1,1,0,0,0,0|2,0,0]=4 1578 B12R0.184 CNC(=O)CCCCCCC(C)C 11a_106832991635_100000040743 [1,1,0,0,0,0|1,0,0]=3 1579 B12R0.184 CNC(=O)CCCCCCC(C)C 1626a_100102657272_100000040743 [1,1,0,0,0,0|1,0,0]=3 1580 B12R0.184 CNC(=O)CCCCCCC(C)C 240690a_100102657272_100000040743 [1,1,0,0,0,0|1,0,0]=3 1581 B12R0.184 CNC(=O)CCCCCCC(C)C 527a_100102657272_100000040743 [1,1,0,0,0,0|1,0,0]=3 1582 B12R0.184 CNC(=O)CCCNCCC(C)C 2230a_100000740002_100000210312 [1,1,0,0,0,0|2,0,0]=4 1583 B12R0.184 CNC(=O)CCCNCCC(C)C 269862a_100000740002_100000185833 [1,1,0,0,0,0|2,0,0]=4 1584 B12R0.184 CNC(=O)CCCNCCC(C)C 34a_100000740002_100000210312 [1,1,0,0,0,0|2,0,0]=4 1585 B12R0.184 CNC(=O)CCCOCCC(C)C 34a_100000210254_100000741757 [1,1,0,0,0,0|2,0,0]=4 1586 B12R0.184 CNC(=O)CCCOCCC(C)C 7a_100000210254_100000741757 [1,1,0,0,0,0|2,0,0]=4 1587 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000210312_100000741757 [1,1,0,0,0,0|2,0,0]=4 1588 B12R0.184 CNC(=O)CCCSCCC(C)C 62a_100000741757_100000210312 [1,1,0,0,0,0|2,0,0]=4 1589 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_100000738227_100011214892 [1,1,0,0,0,0|2,0,0]=4 1590 B12R0.184 CNC(=O)CCNCCCC(C)C 2230a_200000737386_100000737683 [1,1,0,0,0,0|2,0,0]=4 1591 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_100000738227_100011214892 [1,1,0,0,0,0|2,0,0]=4 1592 B12R0.184 CNC(=O)CCNCCCC(C)C 34a_200000737386_100012179268 [1,1,0,0,0,0|2,0,0]=4 1593 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000210774_100012179268 [1,1,0,0,0,0|2,0,0]=4 1594 B12R0.184 CNC(=O)CCOCCCC(C)C 34a_100000754576_100011214892 [1,1,0,0,0,0|2,0,0]=4 1595 B12R0.184 CNC(=O)CCOCCCC(C)C 7a_100000210774_100000737683 [1,1,0,0,0,0|2,0,0]=4 1596 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100000737683_100011214892 [1,1,0,0,0,0|2,0,0]=4 1597 B12R0.184 CNC(=O)CCSCCCC(C)C 62a_100011214892_100000737683 [1,1,0,0,0,0|2,0,0]=4 1598 B12R0.184 CNC(=O)CNCCCCC(C)C 2230a_100000693194_100011216152 [1,1,0,0,0,0|2,0,0]=4 1599 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100000750040_100011216152 [1,1,0,0,0,0|2,0,0]=4 1600 B12R0.184 CNC(=O)COCCCCC(C)C 34a_100011214890_100000183359 [1,1,0,0,0,0|2,0,0]=4 1601 B12R0.184 CNC(=O)COCCCCC(C)C 7a_100011214890_100000183359 [1,1,0,0,0,0|2,0,0]=4 1602 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100000183359_100011216152 [1,1,0,0,0,0|2,0,0]=4 1603 B12R0.184 CNC(=O)CSCCCCC(C)C 62a_100011216152_100000183359 [1,1,0,0,0,0|2,0,0]=4 1604 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100011290863_106832991635 [1,1,0,0,0,0|2,0,0]=4 1605 B12R0.184 CNC(=O)NCCCCCC(C)C 2708a_100102657272_100011290863 [1,1,0,0,0,0|2,0,0]=4 1606 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100011290863_100102657272 [1,1,0,0,0,0|2,0,0]=4 1607 B12R0.184 CNC(=O)NCCCCCC(C)C 273464a_100102657272_100011290863 [1,1,0,0,0,0|2,0,0]=4 1608 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_100011290863_100102657272 [1,1,0,0,0,0|2,0,0]=4 1609 B12R0.184 CNC(=O)NCCCCCC(C)C 512a_106832991638_100011290863 [1,1,0,0,0,0|2,0,0]=4 1610 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000036694_200000210301 [1,1,0,0,0,0|1,0,1]=4 1611 B12R0.184 COC(=O)CCCCCCC(=O)C 1458a_100000070787_100009815986 [1,1,0,0,0,0|1,0,1]=4 1612 B12R0.184 COC(=O)CCCCCCC(=O)[13CH3] 1458a_100000036694_200025704644 [1,1,0,0,0,0|1,0,1]=4 1613 B12R0.184 COC(=O)CCCCCCN(C)C 2230a_100102631434_100009815986 [1,1,0,0,0,0|1,0,0]=3 1614 B12R0.184 COC(=O)CCCCCCN(C)C 269982a_100102631434_100009815986 [1,1,0,0,0,0|1,0,0]=3 1615 B12R0.184 COC(=O)CCCCCNC(C)C 2230a_100138425928_100009816466 [1,1,0,0,0,0|1,0,0]=3 1616 B12R0.184 COC(=O)CCCCCNC(C)C 34a_100138425928_100009816466 [1,1,0,0,0,0|1,0,0]=3 1617 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000074720_100000210206 [1,1,0,0,0,0|1,0,0]=3 1618 B12R0.184 COC(=O)CCCCCOC(C)C 34a_100000212225_100009816466 [1,1,0,0,0,0|1,0,0]=3 1619 B12R0.184 COC(=O)CCCCCOC(C)C 7a_100000074720_100000210206 [1,1,0,0,0,0|1,0,0]=3 1620 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100000210206_100009816466 [1,1,0,0,0,0|1,0,0]=3 1621 B12R0.184 COC(=O)CCCCCSC(C)C 62a_100009816466_100000210206 [1,1,0,0,0,0|1,0,0]=3 1622 B12R0.184 COC(=O)CCCCNCC(C)C 2230a_100000210953_100000204269 [1,1,0,0,0,0|1,0,0]=3 1623 B12R0.184 COC(=O)CCCCNCC(C)C 34a_100000210953_100000204269 [1,1,0,0,0,0|1,0,0]=3 1624 B12R0.184 COC(=O)CCCCNCC(C)O 2230a_100000210904_100000204269 [1,1,0,0,0,0|2,0,0]=4 1625 B12R0.184 COC(=O)CCCCNCC(C)O 34a_100000210904_100000204269 [1,1,0,0,0,0|2,0,0]=4 1626 B12R0.184 COC(=O)CCCCOCC(C)Br 34a_100012180447_100000204269 [1,1,0,0,0,0|2,0,0]=4 1627 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000059025_100000210624 [1,1,0,0,0,0|1,0,0]=3 1628 B12R0.184 COC(=O)CCCCOCC(C)C 34a_100000210257_100000204269 [1,1,0,0,0,0|1,0,0]=3 1629 B12R0.184 COC(=O)CCCCOCC(C)C 7a_100000059025_100000210760 [1,1,0,0,0,0|1,0,0]=3 1630 B12R0.184 COC(=O)CCCCOCC(C)F 34a_100015925927_100000204269 [1,1,0,0,0,0|2,0,0]=4 1631 B12R0.184 COC(=O)CCCCOCC(C)O 34a_100000059025_100011218427 [1,1,0,0,0,0|2,0,0]=4 1632 B12R0.184 COC(=O)CCCCOCC(C)O 7a_100000059025_100011218427 [1,1,0,0,0,0|2,0,0]=4 1633 B12R0.184 COC(=O)CCCCOC[C@@H](C)Cl 34a_100016084084_100000204269 [1,1,0,0,0,0|2,0,0]=4 1634 B12R0.184 COC(=O)CCCCOC[C@@H](C)N 34a_100000737577_100000204269 [1,1,0,0,0,0|2,0,0]=4 1635 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 34a_100000059025_100009817552 [1,1,0,0,0,0|2,0,0]=4 1636 B12R0.184 COC(=O)CCCCOC[C@@H](C)O 7a_100000059025_100009817552 [1,1,0,0,0,0|2,0,0]=4 1637 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000204269_100000210760 [1,1,0,0,0,0|1,0,0]=3 1638 B12R0.184 COC(=O)CCCCSCC(C)C 62a_100000210624_100000204269 [1,1,0,0,0,0|1,0,0]=3 1639 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100000204269_100011218427 [1,1,0,0,0,0|2,0,0]=4 1640 B12R0.184 COC(=O)CCCCSCC(C)O 62a_100011218427_100000204269 [1,1,0,0,0,0|2,0,0]=4 1641 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100000204269_100009817552 [1,1,0,0,0,0|2,0,0]=4 1642 B12R0.184 COC(=O)CCCCSC[C@@H](C)O 62a_100009817552_100000204269 [1,1,0,0,0,0|2,0,0]=4 1643 B12R0.184 COC(=O)CCCNCCC(C)O 2230a_200000755665_100011218270 [1,1,0,0,0,0|2,0,0]=4 1644 B12R0.184 COC(=O)CCCOCCC(C)Br 34a_100009893172_100000742333 [1,1,0,0,0,0|2,0,0]=4 1645 B12R0.184 COC(=O)CCCOCCC(C)C 34a_100000210254_100000742333 [1,1,0,0,0,0|1,0,0]=3 1646 B12R0.184 COC(=O)CCCOCCC(C)C 7a_100000210254_100011218270 [1,1,0,0,0,0|1,0,0]=3 1647 B12R0.184 COC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000742333 [1,1,0,0,0,0|2,0,0]=4 1648 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100000210312_100011218270 [1,1,0,0,0,0|1,0,0]=3 1649 B12R0.184 COC(=O)CCCSCCC(C)C 62a_100011218270_100000210312 [1,1,0,0,0,0|1,0,0]=3 1650 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100011218270_100012276601 [1,1,0,0,0,0|2,0,0]=4 1651 B12R0.184 COC(=O)CCCSCCC(C)O 62a_100012276601_100011218270 [1,1,0,0,0,0|2,0,0]=4 1652 B12R0.184 COC(=O)CCCSCCN(C)C 62a_100011218270_100000755713 [1,1,0,0,0,0|2,0,0]=4 1653 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100000709892_100011218270 [1,1,0,0,0,0|2,0,0]=4 1654 B12R0.184 COC(=O)CCCSCOC(C)C 62a_100011218270_100000709892 [1,1,0,0,0,0|2,0,0]=4 1655 B12R0.184 COC(=O)CCNCCCC(C)C 2230a_200000737386_100000204255 [1,1,0,0,0,0|1,0,0]=3 1656 B12R0.184 COC(=O)CCNCCCC(C)C 34a_200000737386_100000742370 [1,1,0,0,0,0|1,0,0]=3 1657 B12R0.184 COC(=O)CCNCCOC(C)C 2230a_100000701111_100000204255 [1,1,0,0,0,0|2,0,0]=4 1658 B12R0.184 COC(=O)CCNCCOC(C)C 34a_100000701111_100000742370 [1,1,0,0,0,0|2,0,0]=4 1659 B12R0.184 COC(=O)CCNCCSC(C)C 2230a_100000731138_100000204255 [1,1,0,0,0,0|2,0,0]=4 1660 B12R0.184 COC(=O)CCNCCSC(C)C 34a_100000731138_100000742370 [1,1,0,0,0,0|2,0,0]=4 1661 B12R0.184 COC(=O)CCOCCCC(C)C 34a_100000210774_100000742370 [1,1,0,0,0,0|1,0,0]=3 1662 B12R0.184 COC(=O)CCOCCCC(C)C 7a_100000210774_100000204255 [1,1,0,0,0,0|1,0,0]=3 1663 B12R0.184 COC(=O)CCOCCNC(C)C 34a_100000224655_100000742370 [1,1,0,0,0,0|2,0,0]=4 1664 B12R0.184 COC(=O)CCOCCOC(C)C 34a_100000211219_100000742370 [1,1,0,0,0,0|2,0,0]=4 1665 B12R0.184 COC(=O)CCOCCOC(C)C 7a_100000211219_100000204255 [1,1,0,0,0,0|2,0,0]=4 1666 B12R0.184 COC(=O)CCOCCSC(C)C 34a_200011212901_100000742370 [1,1,0,0,0,0|2,0,0]=4 1667 B12R0.184 COC(=O)CCOCCSC(C)C 7a_200011212901_100000204255 [1,1,0,0,0,0|2,0,0]=4 1668 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100000204255_100011214892 [1,1,0,0,0,0|1,0,0]=3 1669 B12R0.184 COC(=O)CCSCCCC(C)C 62a_100011214892_100000204255 [1,1,0,0,0,0|1,0,0]=3 1670 B12R0.184 COC(=O)CCSCCCC(C)O 62a_100000204255_200000718107 [1,1,0,0,0,0|2,0,0]=4 1671 B12R0.184 COC(=O)CCSCCCC(C)O 62a_200000718107_100000204255 [1,1,0,0,0,0|2,0,0]=4 1672 B12R0.184 COC(=O)CCSCCCN(C)C 62a_100000204255_100000757444 [1,1,0,0,0,0|2,0,0]=4 1673 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000204255_100000211751 [1,1,0,0,0,0|2,0,0]=4 1674 B12R0.184 COC(=O)CCSCCOC(C)C 62a_100000211751_100000204255 [1,1,0,0,0,0|2,0,0]=4 1675 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000204255_100000730970 [1,1,0,0,0,0|2,0,0]=4 1676 B12R0.184 COC(=O)CCSCCSC(C)C 62a_100000730970_100000204255 [1,1,0,0,0,0|2,0,0]=4 1677 B12R0.184 COC(=O)CNCCCOC(C)C 2230a_100000737246_100000747449 [1,1,0,0,0,0|2,0,0]=4 1678 B12R0.184 COC(=O)CNCCCOC(C)C 34a_100000737246_100000747449 [1,1,0,0,0,0|2,0,0]=4 1679 B12R0.184 COC(=O)COCCCCC(C)C 34a_100011214890_100000747449 [1,1,0,0,0,0|1,0,0]=3 1680 B12R0.184 COC(=O)COCCCCC(C)C 7a_100011214890_100000747449 [1,1,0,0,0,0|1,0,0]=3 1681 B12R0.184 COC(=O)COCCCNC(C)C 34a_100000182298_100000747449 [1,1,0,0,0,0|2,0,0]=4 1682 B12R0.184 COC(=O)COCCNCC(C)C 2230a_100000210953_100000090808 [1,1,0,0,0,0|2,0,0]=4 1683 B12R0.184 COC(=O)COCCNCC(C)C 34a_100000210953_100000090808 [1,1,0,0,0,0|2,0,0]=4 1684 B12R0.184 COC(=O)COCCNCC(C)C 34a_100015185251_100000747449 [1,1,0,0,0,0|2,0,0]=4 1685 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000210257_100000090808 [1,1,0,0,0,0|2,0,0]=4 1686 B12R0.184 COC(=O)COCCOCC(C)C 34a_100000703358_100000747449 [1,1,0,0,0,0|2,0,0]=4 1687 B12R0.184 COC(=O)COCCOCC(C)C 7a_100000703358_100000747449 [1,1,0,0,0,0|2,0,0]=4 1688 B12R0.184 COC(=O)COCCSCC(C)C 34a_200000230437_100000747449 [1,1,0,0,0,0|2,0,0]=4 1689 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000090808_100000210760 [1,1,0,0,0,0|2,0,0]=4 1690 B12R0.184 COC(=O)COCCSCC(C)C 62a_100000210624_100000090808 [1,1,0,0,0,0|2,0,0]=4 1691 B12R0.184 COC(=O)COCCSCC(C)C 7a_200000230437_100000747449 [1,1,0,0,0,0|2,0,0]=4 1692 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100000747449_100011216152 [1,1,0,0,0,0|1,0,0]=3 1693 B12R0.184 COC(=O)CSCCCCC(C)C 62a_100011216152_100000747449 [1,1,0,0,0,0|1,0,0]=3 1694 B12R0.184 COC(=O)CSCCCCN(C)C 62a_100000747449_100000690147 [1,1,0,0,0,0|2,0,0]=4 1695 B12R0.184 COC(=O)NCCOCCC(C)C 34a_100000757965_100000210312 [1,1,0,0,0,0|2,0,0]=4 1696 B12R0.184 COC(=O)OCCOCCC(C)C 34a_100010262106_100000210312 [1,1,0,0,0,0|2,0,0]=4 1697 B12R0.184 COC(=O)OCSCCCC(C)C 62a_100011214892_100000139417 [1,1,0,0,0,0|2,0,0]=4 1698 B12R0.184 COC(C)CCOCCCC(=O)C 7a_100000764861_100011215641 [1,1,0,0,0,0|2,0,0]=4 1699 B12R0.184 COC(C)CCOCCCC(=O)N 7a_100000764861_100102525003 [1,1,0,0,0,0|2,0,0]=4 1700 B12R0.184 COC(C)COCCCCC(=O)C 34a_100000690652_100009817362 [1,1,0,0,0,0|2,0,0]=4 1701 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009817443_100009879195 [1,1,0,0,0,0|2,0,0]=4 1702 B12R0.184 COC(C)SCCCCCC(=O)N 62a_100009879195_100009817443 [1,1,0,0,0,0|2,0,0]=4 1703 B12R0.184 C[C@@H](CN)CCCOCCC(=O)N 34a_100160569302_100000731001 [1,1,0,0,0,0|2,0,0]=4 1704 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 34a_100000696515_100000059175 [1,1,0,0,0,0|2,0,0]=4 1705 B12R0.184 C[C@@H](CO)CNCCOCC(=O)O 269956a_100000700818_100000059175 [1,1,0,0,0,0|2,0,0]=4 1706 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 34a_100012022536_100000059175 [1,1,0,0,0,0|2,0,0]=4 1707 B12R0.184 C[C@@H](CO)COCCCCC(=O)N 7a_100012022536_100000059175 [1,1,0,0,0,0|2,0,0]=4 1708 B12R0.184 C[C@H](CO)NCCCCCC(=O)N 2230a_100000737577_100009817443 [1,1,0,0,0,0|2,0,0]=4 1709 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100009817443_100016084084 [1,1,0,0,0,0|2,0,0]=4 1710 B12R0.184 C[C@H](CO)SCCCCCC(=O)N 62a_100016084084_100009817443 [1,1,0,0,0,0|2,0,0]=4 1711 B12R0.270 CC(=O)CCCCC(=O)CC(C)C 1458a_100000210554_100000735457 [1,1,0,0,0,0|1,0,1]=4 1712 B12R0.270 CC(=O)CCCCN(C)CC(C)C 269982a_100000747067_100000735457 [1,1,0,0,0,0|2,0,0]=4 1713 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000211805_100000685027 [1,1,0,0,0,0|2,0,0]=4 1714 B12R0.270 CC(=O)CCCOC(C)CC(C)C 34a_100000759063_100000731052 [1,1,0,0,0,0|2,0,0]=4 1715 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000211805_100011215641 [1,1,0,0,0,0|2,0,0]=4 1716 B12R0.270 CC(=O)CCCOC(C)CC(C)C 7a_100000759063_100000731052 [1,1,0,0,0,0|2,0,0]=4 1717 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100000731052_100011215641 [1,1,0,0,0,0|2,0,0]=4 1718 B12R0.270 CC(=O)CCCSC(C)CC(C)C 62a_100011215641_100000731052 [1,1,0,0,0,0|2,0,0]=4 1719 B12R0.270 CC(C)CC(C)NCCCC(=O)N 34a_100000739312_100000731052 [1,1,0,0,0,0|2,0,0]=4 1720 B12R0.270 CC(C)CC(C)OCCCC(=O)N 34a_100000211805_100102525003 [1,1,0,0,0,0|2,0,0]=4 1721 B12R0.270 CC(C)CC(C)OCCCC(=O)N 7a_100000211805_100102525003 [1,1,0,0,0,0|2,0,0]=4 1722 B12R0.270 CC(C)CC(C)SCCCC(=O)N 62a_100000731052_100102525003 [1,1,0,0,0,0|2,0,0]=4 1723 B12R0.270 CC(C)CC(C)SCCCC(=O)N 62a_100102525003_100000731052 [1,1,0,0,0,0|2,0,0]=4 1724 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100011933920_100000187820 [1,1,0,0,0,0|1,0,1]=4 1725 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100134613110_100011216152 [1,1,0,0,0,0|1,0,1]=4 1726 B12R0.270 CC(C)CCCCC(=O)CC(=O)[O-] 1458a_100011933920_100020667443 [1,1,0,0,0,0|0,0,2]=4 1727 B12R0.270 CC(C)CCCCN(C)CC(=O)N 2230a_100000739694_100011216152 [1,1,0,0,0,0|2,0,0]=4 1728 B12R0.270 CC(C)CCCCN(C)CC(=O)O 269956a_100000746989_100011216152 [1,1,0,0,0,0|1,0,0]=3 1729 B12R0.270 CC(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000210312 [1,1,0,0,0,0|1,0,0]=3 1730 B12R0.270 CC(C)C[C@H](N)CCOCC(=O)N 34a_100161151251_100000187820 [1,1,0,0,0,0|2,0,0]=4 1731 B12R0.270 CC(C)C[C@H](N)CCOCC(=O)[O-] 34a_100161151251_100020667443 [1,1,0,0,0,0|1,0,1]=4 1732 B12R0.270 CC(C)C[C@H](N)COCCC(=O)N 34a_100011830311_100000731001 [1,1,0,0,0,0|2,0,0]=4 1733 B12R0.270 CC(C)OCNCC(O)CC(=O)O 269956a_100011218706_100000709892 [1,1,0,0,0,0|2,0,0]=4 1734 B12R0.270 CC(O)CCNCC(O)CC(=O)O 269956a_100011218706_100012276601 [1,1,0,0,0,0|2,0,0]=4 1735 B12R0.270 CN(C)CCCCN(C)CC(=O)O 269956a_100000746989_100000690147 [1,1,0,0,0,0|2,0,0]=4 1736 B12R0.270 CN(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000755713 [1,1,0,0,0,0|2,0,0]=4 1737 B12R0.98 CCCCC(C)N(C)CCC(=O)N 2230a_100000730477_200011215066 [1,1,0,0,0,0|2,0,0]=4 1738 B12R0.98 CCCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000210087 [1,1,0,0,0,0|2,0,0]=4 1739 B12R0.123 CCCCCC(C)NC(C)C(=O)C 2230a_100000211957_100009814033 [1,1,0,0,0,0|2,0,0]=4 1740 B12R0.123 CCCCCC(C)NC(C)C(=O)N 2230a_100000211957_100000702099 [1,1,0,0,0,0|2,0,0]=4 1741 B12R0.123 CCCCCC(C)NC(F)C(=O)N 2230a_100000211957_100009813875 [1,1,0,0,0,0|2,0,0]=4 1742 B12R0.123 CCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218191 [1,1,0,0,0,0|1,0,0]=3 1743 B12R0.123 CCCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011218191 [1,1,0,0,0,0|2,0,0]=4 1744 B12R0.123 CCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000211708 [1,1,0,0,0,0|2,0,0]=4 1745 B12R0.123 CCCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011218191 [1,1,0,0,0,0|2,0,0]=4 1746 B12R0.123 CCCCCC(C)OC(C)C(=O)C 34a_100000212229_200011218191 [1,1,0,0,0,0|2,0,0]=4 1747 B12R0.123 CCCCCC(C)OC(C)C(=O)C 7a_100011215632_100000179758 [1,1,0,0,0,0|2,0,0]=4 1748 B12R0.123 CCCCCC(C)OC(C)C(=O)N 34a_100011215632_100000702099 [1,1,0,0,0,0|2,0,0]=4 1749 B12R0.123 CCCCCC(C)OC(C)C(=O)N 7a_100011215632_100000702099 [1,1,0,0,0,0|2,0,0]=4 1750 B12R0.123 CCCCCC(C)OC(F)C(=O)N 34a_100011215632_100009813875 [1,1,0,0,0,0|2,0,0]=4 1751 B12R0.123 CCCCCC(C)OC(F)C(=O)N 7a_100011215632_100009813875 [1,1,0,0,0,0|2,0,0]=4 1752 B12R0.123 CCCCCC(C)OC(F)C(=O)[O-] 34a_100011215632_100020610796 [1,1,0,0,0,0|1,0,1]=4 1753 B12R0.123 CCCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011218191 [1,1,0,0,0,0|1,0,1]=4 1754 B12R0.123 CCCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011218191 [1,1,0,0,0,0|2,0,0]=4 1755 B12R0.123 CCCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011218191 [1,1,0,0,0,0|2,0,0]=4 1756 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_100009814033_200011218191 [1,1,0,0,0,0|2,0,0]=4 1757 B12R0.123 CCCCCC(C)SC(C)C(=O)C 62a_200011218191_100009814033 [1,1,0,0,0,0|2,0,0]=4 1758 B12R0.123 CCCCCC(C)SC(C)C(=O)N 62a_100000702099_200011218191 [1,1,0,0,0,0|2,0,0]=4 1759 B12R0.123 CCCCCC(C)SC(C)C(=O)N 62a_200011218191_100000702099 [1,1,0,0,0,0|2,0,0]=4 1760 B12R0.123 CCCCCC(C)SC(F)C(=O)N 62a_100009813875_200011218191 [1,1,0,0,0,0|2,0,0]=4 1761 B12R0.123 CCCCCC(C)SC(F)C(=O)N 62a_200011218191_100009813875 [1,1,0,0,0,0|2,0,0]=4 1762 B12R0.123 CCCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011218191 [1,1,0,0,0,0|1,0,1]=4 1763 B12R0.123 CCCCCC(C)SC(F)C(=O)[O-] 62a_200011218191_100020610796 [1,1,0,0,0,0|1,0,1]=4 1764 B12R0.124 CCCCCC(CC)OCC(=O)N 34a_100011215405_100000187820 [1,1,0,0,0,0|2,0,0]=4 1765 B12R0.124 CCCCCC(CC)OCC(=O)N 7a_100011215405_100000187820 [1,1,0,0,0,0|2,0,0]=4 1766 B12R0.124 CCCCCC(CC)OCC(=O)[O-] 34a_100011215405_100020667443 [1,1,0,0,0,0|1,0,1]=4 1767 B12R0.124 CCCCCC(CCC(=O)N)OC 34a_200009835076_200000210301 [1,1,0,0,0,0|1,0,0]=3 1768 B12R0.124 CCCCCC(CCC(=O)N)OC 7a_200009835076_200000210301 [1,1,0,0,0,0|1,0,0]=3 1769 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 34a_200009835076_200025704644 [1,1,0,0,0,0|1,0,0]=3 1770 B12R0.124 CCCCCC(CCC(=O)N)O[13CH3] 7a_200009835076_200025704644 [1,1,0,0,0,0|1,0,0]=3 1771 B12R0.124 CCCCCN(CC)CCC(=O)N 2230a_100020645749_100000210326 [1,1,0,0,0,0|2,0,0]=4 1772 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100011215998_100000187820 [1,1,0,0,0,0|1,0,1]=4 1773 B12R0.141 CCCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011218191 [1,1,0,0,0,0|1,0,1]=4 1774 B12R0.141 CCCCCC(C)C(=O)CC(=O)[O-] 1458a_100011215998_100020667443 [1,1,0,0,0,0|0,0,2]=4 1775 B12R0.141 CCCCCC(C)N(C)CC(=O)N 2230a_100000739694_200011218191 [1,1,0,0,0,0|2,0,0]=4 1776 B12R0.141 CCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100000211708 [1,1,0,0,0,0|2,0,0]=4 1777 B12R0.141 CCCCCC(C)N(C)CC(=O)O 269956a_100000746989_200011218191 [1,1,0,0,0,0|1,0,0]=3 1778 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [1,1,0,0,0,0|1,0,1]=4 1779 B12R0.142 CCCCCC(C)CCC(=O)CC 1458a_100000034243_100000210202 [1,1,0,0,0,0|1,0,0]=3 1780 B12R0.142 CCCCCC(C)CCC(=O)CF 1458a_100000034243_100015361967 [1,1,0,0,0,0|1,0,0]=3 1781 B12R0.142 CCCCCC(C)CCC(=O)NC 11a_106832991635_100000034243 [1,1,0,0,0,0|1,0,0]=3 1782 B12R0.142 CCCCCC(C)CCC(=O)NC 1626a_100102657272_100000034243 [1,1,0,0,0,0|1,0,0]=3 1783 B12R0.142 CCCCCC(C)CCC(=O)NC 240690a_100102657272_100000034243 [1,1,0,0,0,0|1,0,0]=3 1784 B12R0.142 CCCCCC(C)CCC(=O)NC 527a_100102657272_100000034243 [1,1,0,0,0,0|1,0,0]=3 1785 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000211957_100000183359 [1,1,0,0,0,0|2,0,0]=4 1786 B12R0.142 CCCCCC(C)NCC(=O)NC 2230a_100000693194_200011218191 [1,1,0,0,0,0|2,0,0]=4 1787 B12R0.142 CCCCCC(C)NCC(=O)NC 270004a_100000693194_100000211708 [1,1,0,0,0,0|2,0,0]=4 1788 B12R0.142 CCCCCC(C)NCC(=O)OC 2230a_100000211957_100000747449 [1,1,0,0,0,0|1,0,0]=3 1789 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [1,1,0,0,0,0|2,0,0]=4 1790 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [1,1,0,0,0,0|2,0,0]=4 1791 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100000750040_200011218191 [1,1,0,0,0,0|2,0,0]=4 1792 B12R0.142 CCCCCC(C)OCC(=O)NC 34a_100011215632_100000183359 [1,1,0,0,0,0|2,0,0]=4 1793 B12R0.142 CCCCCC(C)OCC(=O)NC 7a_100011215632_100000183359 [1,1,0,0,0,0|2,0,0]=4 1794 B12R0.142 CCCCCC(C)OCC(=O)OC 34a_100011215632_100000747449 [1,1,0,0,0,0|1,0,0]=3 1795 B12R0.142 CCCCCC(C)OCC(=O)OC 7a_100011215632_100000747449 [1,1,0,0,0,0|1,0,0]=3 1796 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_100000747405_200011218191 [1,1,0,0,0,0|2,0,0]=4 1797 B12R0.142 CCCCCC(C)SCC(=O)CC 62a_200011218191_100000747405 [1,1,0,0,0,0|2,0,0]=4 1798 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_100000183359_200011218191 [1,1,0,0,0,0|2,0,0]=4 1799 B12R0.142 CCCCCC(C)SCC(=O)NC 62a_200011218191_100000183359 [1,1,0,0,0,0|2,0,0]=4 1800 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_100000747449_200011218191 [1,1,0,0,0,0|1,0,0]=3 1801 B12R0.142 CCCCCC(C)SCC(=O)OC 62a_200011218191_100000747449 [1,1,0,0,0,0|1,0,0]=3 1802 B12R0.142 CCCCCN(C)CCC(=O)CC 1458a_100016987678_100000210202 [1,1,0,0,0,0|2,0,0]=4 1803 B12R0.142 CCCCCN(C)CCC(=O)CF 1458a_100016987678_100015361967 [1,1,0,0,0,0|2,0,0]=4 1804 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000223495_100000737683 [1,1,0,0,0,0|2,0,0]=4 1805 B12R0.142 CCCCCN(C)CCC(=O)NC 2230a_100000750875_100000210326 [1,1,0,0,0,0|2,0,0]=4 1806 B12R0.142 CCCCCN(C)CCC(=O)NC 240690a_100102657272_100016987678 [1,1,0,0,0,0|2,0,0]=4 1807 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000223495_100000737683 [1,1,0,0,0,0|2,0,0]=4 1808 B12R0.142 CCCCCN(C)CCC(=O)NC 269982a_100000750875_100000210215 [1,1,0,0,0,0|2,0,0]=4 1809 B12R0.142 CCCCCN(C)CCC(=O)OC 2230a_100000223495_100000204255 [1,1,0,0,0,0|1,0,0]=3 1810 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100000223495_100000204255 [1,1,0,0,0,0|1,0,0]=3 1811 B12R0.142 CCCCCN(C)CCC(=O)OC 269982a_100025711912_100000210215 [1,1,0,0,0,0|1,0,0]=3 1812 B12R0.142 CCOCCN(C)CCC(=O)OC 269982a_100025711912_100011215890 [1,1,0,0,0,0|2,0,0]=4 1813 B12R0.142 CCSCCN(C)CCC(=O)OC 269982a_100025711912_100000757381 [1,1,0,0,0,0|2,0,0]=4 1814 B12R0.142 COC(=O)CCN(C)CCCCF 269982a_100025711912_100000729493 [1,1,0,0,0,0|2,0,0]=4 1815 B12R0.142 COC(=O)CCN(C)CCCCO 2230a_100000717598_100000204255 [1,1,0,0,0,0|2,0,0]=4 1816 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100000717598_100000204255 [1,1,0,0,0,0|2,0,0]=4 1817 B12R0.142 COC(=O)CCN(C)CCCCO 269982a_100025711912_100000210776 [1,1,0,0,0,0|2,0,0]=4 1818 B12R0.142 COCCCC(C)OCC(=O)OC 34a_200011539412_100000747449 [1,1,0,0,0,0|2,0,0]=4 1819 B12R0.142 COCCCC(C)OCC(=O)OC 7a_200011539412_100000747449 [1,1,0,0,0,0|2,0,0]=4 1820 B12R0.142 COCCCN(C)CCC(=O)OC 2230a_100000224831_100000204255 [1,1,0,0,0,0|2,0,0]=4 1821 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100000224831_100000204255 [1,1,0,0,0,0|2,0,0]=4 1822 B12R0.142 COCCCN(C)CCC(=O)OC 269982a_100025711912_100000740836 [1,1,0,0,0,0|2,0,0]=4 1823 B12R0.189 CCC(C)CCC(C)OCC(=O)N 7a_200011216552_100000187820 [1,1,0,0,0,0|2,0,0]=4 1824 B12R0.255 C=C(C)CCC(C)NCCCCC 270004a_100000209983_100011215600 [1,1,0,0,0,0|2,0,0]=4 1825 B12R0.255 CC(=O)CCN(C)CCCCCO 269982a_100000722520_100000053229 [1,1,0,0,0,0|2,0,0]=4 1826 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000210919_100000747473 [1,1,0,0,0,0|2,0,0]=4 1827 B12R0.255 CCCCCCC(C)NCC(=O)N 2230a_100000711301_100011215978 [1,1,0,0,0,0|2,0,0]=4 1828 B12R0.255 CCCCCCC(C)NCC(=O)N 34a_100000210919_100000187820 [1,1,0,0,0,0|2,0,0]=4 1829 B12R0.255 CCCCCCC(C)NCC(=O)O 269956a_100016091260_100011215978 [1,1,0,0,0,0|1,0,0]=3 1830 B12R0.255 CCCCCCC(C)NCC(=O)[O-] 34a_100000210919_100020667443 [1,1,0,0,0,0|1,0,1]=4 1831 B12R0.255 CCCCCCC(C)OCC(=O)C 34a_100000211253_100011215978 [1,1,0,0,0,0|2,0,0]=4 1832 B12R0.255 CCCCCCC(C)OCC(=O)N 34a_100000210265_100000187820 [1,1,0,0,0,0|2,0,0]=4 1833 B12R0.255 CCCCCCC(C)OCC(=O)N 7a_100000210265_100000187820 [1,1,0,0,0,0|2,0,0]=4 1834 B12R0.255 CCCCCCC(C)OCC(=O)[O-] 34a_100000210265_100020667443 [1,1,0,0,0,0|1,0,1]=4 1835 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100000747473_100011215978 [1,1,0,0,0,0|2,0,0]=4 1836 B12R0.255 CCCCCCC(C)SCC(=O)N 62a_100011215978_100000747473 [1,1,0,0,0,0|2,0,0]=4 1837 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100011215978_100020667443 [1,1,0,0,0,0|1,0,1]=4 1838 B12R0.255 CCCCCCC(C)SCC(=O)[O-] 62a_100020667443_100011215978 [1,1,0,0,0,0|1,0,1]=4 1839 B12R0.255 CCCCCCN(C)CCC(=O)C 269982a_106256046315_100000053229 [1,1,0,0,0,0|2,0,0]=4 1840 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210314 [1,1,0,0,0,0|2,0,0]=4 1841 B12R0.255 CCCCCCN(C)CCC(=O)N 2230a_106256046315_100000744528 [1,1,0,0,0,0|2,0,0]=4 1842 B12R0.255 CCCCCCN(C)CCC(=O)N 269982a_106256046315_100000744528 [1,1,0,0,0,0|2,0,0]=4 1843 B12R0.255 CCCCCNC(C)COC(=O)C 270004a_100000209983_100000000629 [1,1,0,0,0,0|2,0,0]=4 1844 B12R0.255 CCCCNCC(C)CSC(=O)C 2230a_100000102301_200000116872 [1,1,0,0,0,0|2,0,0]=4 1845 B12R0.255 CCCCNCC(C)CSC(=O)C 7a_106832991798_200000116872 [1,1,0,0,0,0|2,0,0]=4 1846 B12R0.255 CCCCOCC(C)CSC(=O)C 34a_100000210227_200000116872 [1,1,0,0,0,0|2,0,0]=4 1847 B12R0.255 CCCCOCC(C)CSC(=O)C 7a_100000210227_200000116872 [1,1,0,0,0,0|2,0,0]=4 1848 B12R0.255 CCCCOCC(C)OCC(=O)N 34a_100011217071_100000187820 [1,1,0,0,0,0|2,0,0]=4 1849 B12R0.255 CCCCOCC(C)OCC(=O)N 7a_100011217071_100000187820 [1,1,0,0,0,0|2,0,0]=4 1850 B12R0.255 CCCCOCC(C)OCC(=O)[O-] 34a_100011217071_100020667443 [1,1,0,0,0,0|1,0,1]=4 1851 B12R0.255 CCCCOCN(C)CCC(=O)N 2230a_100000730477_100011995733 [1,1,0,0,0,0|2,0,0]=4 1852 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_100000210211_200000116872 [1,1,0,0,0,0|2,0,0]=4 1853 B12R0.255 CCCCSCC(C)CSC(=O)C 62a_200000116872_100000210210 [1,1,0,0,0,0|2,0,0]=4 1854 B12R0.255 CCCOCCN(C)CCC(=O)N 2230a_100000730477_100011215938 [1,1,0,0,0,0|2,0,0]=4 1855 B12R0.255 CCOCCCN(C)CCC(=O)N 2230a_100000730477_100012232248 [1,1,0,0,0,0|2,0,0]=4 1856 B12R0.255 CN(CCCCCF)CCC(=O)N 2230a_100000730477_100000729378 [1,1,0,0,0,0|2,0,0]=4 1857 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000722520_100000744528 [1,1,0,0,0,0|2,0,0]=4 1858 B12R0.255 CN(CCCCCO)CCC(=O)N 2230a_100000730477_100000746330 [1,1,0,0,0,0|2,0,0]=4 1859 B12R0.255 CN(CCCCCO)CCC(=O)N 269982a_100000722520_100000744528 [1,1,0,0,0,0|2,0,0]=4 1860 B12R0.255 COCCCCN(C)CCC(=O)N 2230a_100000730477_100000730899 [1,1,0,0,0,0|2,0,0]=4 1861 B12R0.283 CCCC(C)CN(C)CCC(=O)N 2230a_100000730477_100011216630 [1,1,0,0,0,0|2,0,0]=4 1862 B12R0.283 CCCC(C)CN(C)CCC(=O)N 270004a_100000730477_100000243154 [1,1,0,0,0,0|2,0,0]=4 1863 B12R0.2 C=CCCC(C)NC(C)CC(C)C 270004a_100000692259_100000762624 [1,1,0,0,0,0|2,0,0]=4 1864 B12R0.2 C=CCCC(C)OC(C)CC(C)C 34a_100000765329_100000731052 [1,1,0,0,0,0|2,0,0]=4 1865 B12R0.2 C=CCCC(C)OC(C)CC(C)C 7a_100000765329_100000731052 [1,1,0,0,0,0|2,0,0]=4 1866 B12R0.48 C=CCCC(C)NCC(O)C(C)C 270004a_100000759067_100000762624 [1,1,0,0,0,0|2,0,0]=4 1867 B12R0.54 C=CCN(C)C(C)CCCC(C)C 270004a_100000225617_100000753411 [1,1,0,0,0,0|2,0,0]=4 1868 B12R0.54 CC(C)CCCC(C)N(C)CCO 270004a_100000210263_100000753411 [1,1,0,0,0,0|1,0,1]=4 1869 B12R0.54 CC(C)CCCN(C)C(C)CCO 2230a_100000731037_100011214892 [1,1,0,0,0,0|1,0,1]=4 1870 B12R0.54 CC(C)CCCN(C)C(C)CCO 269982a_100000731037_100011214892 [1,1,0,0,0,0|1,0,1]=4 1871 B12R0.102 C=CCCC(C)NCCC(C)CC 270004a_100020591266_100000762624 [1,1,0,0,0,0|2,0,0]=4 1872 B12R0.102 C=CCCC(C)NCCC(C)CO 270004a_106354213184_100000762624 [1,1,0,0,0,0|2,0,0]=4 1873 B12R0.102 CCC(C)CNC[C@H](C)CCCO 2230a_100160569302_100000748023 [1,1,0,0,0,0|1,0,1]=4 1874 B12R0.102 CCC(C)CNC[C@H](C)CCCO 270004a_100160569302_100000243153 [1,1,0,0,0,0|1,0,1]=4 1875 B12R0.102 CCC(C)CNC[C@H](C)CCCO 34a_100160569302_100000748023 [1,1,0,0,0,0|1,0,1]=4 1876 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 2230a_100160569302_100009816398 [1,1,0,0,0,0|1,0,1]=4 1877 B12R0.102 CC[C@H](C)CNC[C@H](C)CCCO 34a_100160569302_100009816398 [1,1,0,0,0,0|1,0,1]=4 1878 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 2230a_100160569302_100000059175 [1,1,0,0,0,0|1,0,1]=4 1879 B12R0.102 C[C@H](CCCO)CNC[C@@H](C)CO 34a_100160569302_100000059175 [1,1,0,0,0,0|1,0,1]=4 1880 B12R0.104 C=CCCC(C)NCCC(C)(C)C 270004a_100000738805_100000762624 [1,1,0,0,0,0|2,0,0]=4 1881 B12R0.104 C=CCCC(C)NCCC(C)(C)F 270004a_100016253952_100000762624 [1,1,0,0,0,0|2,0,0]=4 1882 B12R0.104 C=CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000762624 [1,1,0,0,0,0|2,0,0]=4 1883 B12R0.104 C=CCCC(C)OCCC(C)(C)C 34a_100000765329_100000755188 [1,1,0,0,0,0|2,0,0]=4 1884 B12R0.104 C=CCCC(C)OCCC(C)(C)C 7a_100000765329_100000755188 [1,1,0,0,0,0|2,0,0]=4 1885 B12R0.104 C=CCCC(C)OCCC(C)(C)O 34a_100000765329_100000702414 [1,1,0,0,0,0|2,0,0]=4 1886 B12R0.104 C=CCCC(C)OCCC(C)(C)O 7a_100000765329_100000702414 [1,1,0,0,0,0|2,0,0]=4 1887 B12R0.104 C=CCCN(C)CCCC(C)(C)O 2230a_100020639649_100009888830 [1,1,0,0,0,0|2,0,0]=4 1888 B12R0.104 C=CCCN(C)CCCC(C)(C)O 269982a_100020639649_100009888830 [1,1,0,0,0,0|2,0,0]=4 1889 B12R0.104 CN(CCCO)CCCC(C)(C)O 2230a_100000213112_100009888830 [1,1,0,0,0,0|1,0,1]=4 1890 B12R0.104 CN(CCCO)CCCC(C)(C)O 269982a_100000213112_100009888830 [1,1,0,0,0,0|1,0,1]=4 1891 B12R0.104 C[C@H](CCCO)CNCC(C)(C)C 270004a_100160569302_100011204126 [1,1,0,0,0,0|1,0,1]=4 1892 B12R0.104 C[C@H](CCCO)CNCC(C)(C)C 34a_100160569302_100011219605 [1,1,0,0,0,0|1,0,1]=4 1893 B12R0.104 C[C@H](CCCO)CNCC(C)(C)F 34a_100160569302_100011997219 [1,1,0,0,0,0|1,0,1]=4 1894 B12R0.104 C[C@H](CCCO)CNCC(C)(C)O 34a_100160569302_100000764493 [1,1,0,0,0,0|1,0,1]=4 1895 B12R0.233 C#CCCNC(C)CCCC(C)C 2230a_100000210607_100000688953 [1,1,0,0,0,0|1,0,1]=4 1896 B12R0.233 C#CCCOC(C)CCCC(C)C 34a_200011218570_100000688953 [1,1,0,0,0,0|1,0,1]=4 1897 B12R0.233 C#CCCOC(C)CCCC(C)C 7a_200011218570_100000688953 [1,1,0,0,0,0|1,0,1]=4 1898 B12R0.233 C/C=C/COC(C)CCCC(C)C 34a_200011218570_100102629194 [1,1,0,0,0,0|1,0,1]=4 1899 B12R0.233 C/C=C/COC(C)CCCC(C)C 7a_200011218570_100102629194 [1,1,0,0,0,0|1,0,1]=4 1900 B12R0.233 C=CCCNC(C)CCCC(C)C 2230a_100000210607_100000754431 [1,1,0,0,0,0|1,0,0]=3 1901 B12R0.233 C=CCCNC(C)CCCC(C)C 270004a_100015191253_100000753411 [1,1,0,0,0,0|1,0,0]=3 1902 B12R0.233 C=CCCNC(C)CCOC(C)C 270004a_100015191253_200011219172 [1,1,0,0,0,0|2,0,0]=4 1903 B12R0.233 C=CCCOC(C)CCCC(C)C 34a_200011218570_100000754431 [1,1,0,0,0,0|1,0,0]=3 1904 B12R0.233 C=CCCOC(C)CCCC(C)C 7a_200011218570_100000754431 [1,1,0,0,0,0|1,0,0]=3 1905 B12R0.233 CC(C)CCCC(C)CCOCF 34a_100000015991_100015361967 [1,1,0,0,0,0|1,0,1]=4 1906 B12R0.233 CC(C)CCCC(C)CCOCF 7a_100000015991_100015361967 [1,1,0,0,0,0|1,0,1]=4 1907 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100009816328_100015361967 [1,1,0,0,0,0|1,0,1]=4 1908 B12R0.233 CC(C)CCCC(C)CCSCF 62a_100015361967_100009816328 [1,1,0,0,0,0|1,0,1]=4 1909 B12R0.233 CC(C)CCCC(C)NCCC#N 2230a_100000210607_100011215226 [1,1,0,0,0,0|1,0,1]=4 1910 B12R0.233 CC(C)CCCC(C)NCCC#N 270004a_100000720768_100000753411 [1,1,0,0,0,0|1,0,1]=4 1911 B12R0.233 CC(C)CCCC(C)NCCCF 2230a_100000210607_100011934791 [1,1,0,0,0,0|1,0,1]=4 1912 B12R0.233 CC(C)CCCC(C)NCCCF 270004a_100015189416_100000753411 [1,1,0,0,0,0|1,0,1]=4 1913 B12R0.233 CC(C)CCCC(C)NCCCO 2230a_100000210607_100000230001 [1,1,0,0,0,0|0,0,1]=3 1914 B12R0.233 CC(C)CCCC(C)NCCCO 270004a_100000182051_100000753411 [1,1,0,0,0,0|0,0,1]=3 1915 B12R0.233 CC(C)CCCC(C)OCCC#N 7a_200011218570_100000184422 [1,1,0,0,0,0|1,0,1]=4 1916 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [1,1,0,0,0,0|1,0,1]=4 1917 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [1,1,0,0,0,0|1,0,1]=4 1918 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [1,1,0,0,0,0|0,0,1]=3 1919 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [1,1,0,0,0,0|0,0,1]=3 1920 B12R0.233 CC(C)CCCN(C)CCCCO 2230a_100000717598_100011214892 [1,1,0,0,0,0|1,0,1]=4 1921 B12R0.233 CC(C)CCCN(C)CCCCO 269982a_100000717598_100011214892 [1,1,0,0,0,0|1,0,1]=4 1922 B12R0.233 CC(CCOC(C)C)NCCCO 270004a_100000182051_200011219172 [1,1,0,0,0,0|1,0,1]=4 1923 B12R0.233 CC=CCNC(C)CCCC(C)C 2230a_100000210607_100000070051 [1,1,0,0,0,0|1,0,1]=4 1924 B12R0.233 CC=CCOC(C)CCCC(C)C 34a_200011218570_100000070051 [1,1,0,0,0,0|1,0,1]=4 1925 B12R0.233 CC=CCOC(C)CCCC(C)C 7a_200011218570_100000070051 [1,1,0,0,0,0|1,0,1]=4 1926 B12R0.233 CCCCNC(C)CCCC(C)C 2230a_100000210607_100000210211 [1,1,0,0,0,0|1,0,1]=4 1927 B12R0.233 CCCCNC(C)CCCC(C)C 270004a_100000102301_100000753411 [1,1,0,0,0,0|1,0,1]=4 1928 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [1,1,0,0,0,0|1,0,1]=4 1929 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [1,1,0,0,0,0|1,0,1]=4 1930 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_100015525214_100009816328 [1,1,0,0,0,0|1,0,1]=4 1931 B12R0.233 CCNCCC(C)CCCC(C)C 2230a_102516457229_100000210202 [1,1,0,0,0,0|1,0,1]=4 1932 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100000015991_100000210202 [1,1,0,0,0,0|1,0,1]=4 1933 B12R0.233 CCOCCC(C)CCCC(C)C 34a_100121572206_100009816328 [1,1,0,0,0,0|1,0,1]=4 1934 B12R0.233 CCOCCC(C)CCCC(C)C 7a_100000015991_100000210202 [1,1,0,0,0,0|1,0,1]=4 1935 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100000210202_100009816328 [1,1,0,0,0,0|1,0,1]=4 1936 B12R0.233 CCSCCC(C)CCCC(C)C 62a_100009816328_100000210202 [1,1,0,0,0,0|1,0,1]=4 1937 B12R0.233 CN(C)CCCN(C)CCCC=O 269982a_100000225831_200011292268 [1,1,0,0,0,0|2,0,0]=4 1938 B12R0.233 COCCCC(C)OCCC(C)C 34a_200011539412_100000210312 [1,1,0,0,0,0|1,0,1]=4 1939 B12R0.233 COCCCC(C)OCCC(C)C 7a_200011539412_100000210626 [1,1,0,0,0,0|1,0,1]=4 1940 B12R0.233 COCCCN(C)CCCC(C)C 2230a_100000224831_100011214892 [1,1,0,0,0,0|1,0,1]=4 1941 B12R0.233 COCCCN(C)CCCC(C)C 269982a_100000224831_100011214892 [1,1,0,0,0,0|1,0,1]=4 1942 B12R0.233 COCCNC(C)CCCC(C)C 2230a_100000210607_100011201679 [1,1,0,0,0,0|1,0,1]=4 1943 B12R0.233 COCCNC(C)CCCC(C)C 270004a_100000209980_100000753411 [1,1,0,0,0,0|1,0,1]=4 1944 B12R0.233 COCCOC(C)CCCC(C)C 34a_200011218570_100011201679 [1,1,0,0,0,0|1,0,1]=4 1945 B12R0.233 COCCOC(C)CCCC(C)C 7a_200011218570_100000233755 [1,1,0,0,0,0|1,0,1]=4 1946 B12R0.233 CSCCNC(C)CCCC(C)C 2230a_100000210607_100000751147 [1,1,0,0,0,0|2,0,0]=4 1947 B12R0.233 CSCCNC(C)CCCC(C)C 270004a_100020590264_100000753411 [1,1,0,0,0,0|2,0,0]=4 1948 B12R0.233 CSCCOC(C)CCCC(C)C 34a_200011218570_100000212216 [1,1,0,0,0,0|2,0,0]=4 1949 B12R0.233 CSCCOC(C)CCCC(C)C 7a_200011218570_100000212216 [1,1,0,0,0,0|2,0,0]=4 1950 B12R0.240 CC(C)CCCC(C)NC(C)CO 2230a_100000210607_100012180447 [1,1,0,0,0,0|1,0,1]=4 1951 B12R0.240 CC(C)CCCC(C)N[C@H](C)CO 270004a_100000737577_100000753411 [1,1,0,0,0,0|1,0,1]=4 1952 B12R0.240 CC(C)CCCC(C)OC(C)CO 34a_200011218570_100012180447 [1,1,0,0,0,0|1,0,1]=4 1953 B12R0.240 CC(C)CCCC(C)OC(C)CO 7a_200011218570_100012180447 [1,1,0,0,0,0|1,0,1]=4 1954 B12R0.240 CC(C)CCCN(C)CC(O)CO 2230a_100011216503_100011214892 [1,1,0,0,0,0|1,0,1]=4 1955 B12R0.240 CC(C)CCCN(C)CC(O)CO 269982a_100011216503_100011214892 [1,1,0,0,0,0|1,0,1]=4 1956 B12R0.331 C=CCOC(C)(C)CCCC(C)C 7a_100011215742_100015514636 [1,1,0,0,0,0|2,0,0]=4 1957 B12R0.331 CC(C)CCCC(C)(C)OCC=O 7a_100011215742_200015260668 [1,1,0,0,0,0|1,0,0]=3 1958 B12R0.331 CC(C)CCCC(C)(C)OCCO 7a_100011215742_100000211926 [1,1,0,0,0,0|1,0,1]=4 1959 B12R0.3 CC(CN(C)C)CN(C)CC(=O)O 269956a_100000746989_100015348159 [0,1,0,0,1,0|2,0,0]=4 1960 B12R0.66 CC(C)(C)CNCC(O)CC(=O)O 269956a_100011218706_100011219605 [0,1,0,0,1,0|2,0,0]=4 1961 B12R0.66 CC(C)(F)CNCC(O)CC(=O)O 269956a_100011218706_100011997219 [0,1,0,0,1,0|2,0,0]=4 1962 B12R0.66 CC(C)(O)CNCC(O)CC(=O)O 269956a_100011218706_100000764493 [0,1,0,0,1,0|2,0,0]=4 1963 B12R0.66 CN(CCCC(C)(C)O)CC(=O)N 2230a_100000739694_100009888830 [0,1,0,0,1,0|2,0,0]=4 1964 B12R0.66 CN(CCCC(C)(C)O)CC(=O)O 269956a_100000746989_100009888830 [0,1,0,0,1,0|1,0,0]=3 1965 B12R0.66 CN(CCC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100016990835 [0,1,0,0,1,0|2,0,0]=4 1966 B12R0.66 CN(CCC[Si](C)(C)C)CC(=O)O 269956a_100000746989_100011219597 [0,1,0,0,1,0|1,1,0]=4 1967 B12R0.241 CCC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000748023 [0,1,0,0,1,0|2,0,0]=4 1968 B12R0.241 CCN(C)CCCN(C)CC(=O)O 269956a_100000746989_100015186262 [0,1,0,0,1,0|2,0,0]=4 1969 B12R0.241 CC[C@H](C)CNCC(O)CC(=O)O 269956a_100011218706_100009816398 [0,1,0,0,1,0|2,0,0]=4 1970 B12R0.241 C[C@@H](CO)CNCC(O)CC(=O)O 269956a_100011218706_100000059175 [0,1,0,0,1,0|2,0,0]=4 1971 B12R0.258 CC(C)CCC(C)N(C)CC(=O)N 2230a_100000739694_100011261404 [0,1,0,0,1,0|2,0,0]=4 1972 B12R0.258 CC(C)CCC(C)N(C)CC(=O)N 270004a_100000739694_100000210476 [0,1,0,0,1,0|2,0,0]=4 1973 B12R0.258 CC(C)CCC(C)N(C)CC(=O)O 269956a_100000746989_100011261404 [0,1,0,0,1,0|1,0,0]=3 1974 B12R0.535 CC(C)CCCN(CO)CC(=O)[O-] 269956a_100016989150_100011214892 [0,1,0,0,1,0|1,0,1]=4 1975 B12R0.535 CC(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210312 [0,1,0,0,1,0|1,0,0]=3 1976 B12R0.535 CC(C)OCN[C@H](CO)CC(=O)O 269956a_100009816507_100000709892 [0,1,0,0,1,0|2,0,0]=4 1977 B12R0.535 CC(O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100012276601 [0,1,0,0,1,0|2,0,0]=4 1978 B12R0.535 CCN(CCCC(C)C)CC(=O)O 269956a_100000746405_100011214892 [0,1,0,0,1,0|1,0,0]=3 1979 B12R0.535 CCN(CCCC(C)O)CC(=O)O 269956a_100000746405_200000718107 [0,1,0,0,1,0|2,0,0]=4 1980 B12R0.535 CCN(CCCN(C)C)CC(=O)O 269956a_100000746405_100000757444 [0,1,0,0,1,0|2,0,0]=4 1981 B12R0.535 CCN(CCOC(C)C)CC(=O)O 269956a_100000746405_100000211751 [0,1,0,0,1,0|2,0,0]=4 1982 B12R0.535 CCN(CCSC(C)C)CC(=O)O 269956a_100000746405_100000730970 [0,1,0,0,1,0|2,0,0]=4 1983 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)C 269956a_100016995926_100000210312 [0,1,0,0,1,0|1,0,0]=3 1984 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)O 269956a_100016995926_100012276601 [0,1,0,0,1,0|2,0,0]=4 1985 B12R0.535 CC[C@H](CC(=O)O)NCCN(C)C 269956a_100016995926_100000755713 [0,1,0,0,1,0|2,0,0]=4 1986 B12R0.535 CC[C@H](CC(=O)O)NCOC(C)C 269956a_100016995926_100000709892 [0,1,0,0,1,0|2,0,0]=4 1987 B12R0.535 CN(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000755713 [0,1,0,0,1,0|2,0,0]=4 1988 B12R0.686 CC(C(=O)O)N(C)CCCN(C)C 269956a_100000749554_100000757444 [0,1,0,0,1,0|2,0,0]=4 1989 B12R0.686 CC(C)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011214892 [0,1,0,0,1,0|1,0,0]=3 1990 B12R0.686 CC(C)CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210312 [0,1,0,0,1,0|2,0,0]=4 1991 B12R0.686 CC(C)OCCN(C)C(C)C(=O)O 269956a_100000749554_100000211751 [0,1,0,0,1,0|2,0,0]=4 1992 B12R0.686 CC(C)SCCN(C)C(C)C(=O)O 269956a_100000749554_100000730970 [0,1,0,0,1,0|2,0,0]=4 1993 B12R0.686 CC(O)CCCN(C)C(C)C(=O)O 269956a_100000749554_200000718107 [0,1,0,0,1,0|2,0,0]=4 1994 B12R0.697 CC(=O)CC(C)(C)OCCC(C)C 7a_100000210262_100000210626 [0,1,0,0,1,0|2,0,0]=4 1995 B12R0.697 CC(C)CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210312 [0,1,0,0,1,0|2,0,0]=4 1996 B12R0.697 CC(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210312 [0,1,0,0,1,0|1,0,0]=3 1997 B12R0.697 CC(C)OCNC(C)(C)CC(=O)O 269956a_100000755897_100000709892 [0,1,0,0,1,0|2,0,0]=4 1998 B12R0.697 CC(O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100012276601 [0,1,0,0,1,0|2,0,0]=4 1999 B12R0.697 CN(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000755713 [0,1,0,0,1,0|2,0,0]=4 2000 B12R0.139 CC(=O)C(C)NC(C)CCC(C)C 2230a_100138410893_100009814033 [0,1,0,0,1,0|2,0,0]=4 2001 B12R0.139 CC(=O)C(C)OC(C)CCC(C)C 34a_100000212229_100011261404 [0,1,0,0,1,0|2,0,0]=4 2002 B12R0.139 CC(=O)C(C)OC(C)CCC(C)C 7a_100011215350_100000179758 [0,1,0,0,1,0|2,0,0]=4 2003 B12R0.139 CC(=O)C(C)SC(C)CCC(C)C 62a_100009814033_100011261404 [0,1,0,0,1,0|2,0,0]=4 2004 B12R0.139 CC(=O)C(C)SC(C)CCC(C)C 62a_100011261404_100009814033 [0,1,0,0,1,0|2,0,0]=4 2005 B12R0.139 CC(C)CCC(C)NC(C)C(=O)N 2230a_100138410893_100000702099 [0,1,0,0,1,0|2,0,0]=4 2006 B12R0.139 CC(C)CCC(C)NC(F)C(=O)N 2230a_100138410893_100009813875 [0,1,0,0,1,0|2,0,0]=4 2007 B12R0.139 CC(C)CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011261404 [0,1,0,0,1,0|1,0,0]=3 2008 B12R0.139 CC(C)CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100011261404 [0,1,0,0,1,0|2,0,0]=4 2009 B12R0.139 CC(C)CCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210476 [0,1,0,0,1,0|2,0,0]=4 2010 B12R0.139 CC(C)CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011261404 [0,1,0,0,1,0|2,0,0]=4 2011 B12R0.139 CC(C)CCC(C)OC(C)C(=O)N 34a_100011215350_100000702099 [0,1,0,0,1,0|2,0,0]=4 2012 B12R0.139 CC(C)CCC(C)OC(C)C(=O)N 7a_100011215350_100000702099 [0,1,0,0,1,0|2,0,0]=4 2013 B12R0.139 CC(C)CCC(C)OC(F)C(=O)N 34a_100011215350_100009813875 [0,1,0,0,1,0|2,0,0]=4 2014 B12R0.139 CC(C)CCC(C)OC(F)C(=O)N 7a_100011215350_100009813875 [0,1,0,0,1,0|2,0,0]=4 2015 B12R0.139 CC(C)CCC(C)OC(F)C(=O)[O-] 34a_100011215350_100020610796 [0,1,0,0,1,0|1,0,1]=4 2016 B12R0.139 CC(C)CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011261404 [0,1,0,0,1,0|2,0,0]=4 2017 B12R0.139 CC(C)CCC(C)SC(C)C(=O)N 62a_100000702099_100011261404 [0,1,0,0,1,0|2,0,0]=4 2018 B12R0.139 CC(C)CCC(C)SC(C)C(=O)N 62a_100011261404_100000702099 [0,1,0,0,1,0|2,0,0]=4 2019 B12R0.139 CC(C)CCC(C)SC(F)C(=O)N 62a_100009813875_100011261404 [0,1,0,0,1,0|2,0,0]=4 2020 B12R0.139 CC(C)CCC(C)SC(F)C(=O)N 62a_100011261404_100009813875 [0,1,0,0,1,0|2,0,0]=4 2021 B12R0.139 CC(C)CCC(C)SC(F)C(=O)[O-] 62a_100011261404_100020610796 [0,1,0,0,1,0|1,0,1]=4 2022 B12R0.139 CC(C)CCC(C)SC(F)C(=O)[O-] 62a_100020610796_100011261404 [0,1,0,0,1,0|1,0,1]=4 2023 B12R0.388 CC(=O)COC(C)(C)CCC(C)C 34a_100000211253_200000037585 [0,1,0,0,1,0|2,0,0]=4 2024 B12R0.388 CC(C)CCC(C)(C)NCC(=O)O 269956a_100016091260_200000037585 [0,1,0,0,1,0|1,0,0]=3 2025 B12R0.388 CC(C)CCC(C)(C)OCC(=O)N 7a_200011218267_100000187820 [0,1,0,0,1,0|2,0,0]=4 2026 B12R0.388 CC(C)CCC(C)(C)SCC(=O)N 62a_100000747473_200000037585 [0,1,0,0,1,0|2,0,0]=4 2027 B12R0.388 CC(C)CCC(C)(C)SCC(=O)N 62a_200000037585_100000747473 [0,1,0,0,1,0|2,0,0]=4 2028 B12R0.388 CC(C)CCC(C)(C)SCC(=O)[O-] 62a_100020667443_200000037585 [0,1,0,0,1,0|1,0,1]=4 2029 B12R0.388 CC(C)CCC(C)(C)SCC(=O)[O-] 62a_200000037585_100020667443 [0,1,0,0,1,0|1,0,1]=4 2030 B12R0.390 CN(CCC(=O)N)CCC(C)(C)C 2230a_100000730477_100000755188 [0,1,0,0,1,0|2,0,0]=4 2031 B12R0.390 CN(CCC(=O)N)CCC(C)(C)O 2230a_100000730477_100000702414 [0,1,0,0,1,0|2,0,0]=4 2032 B12R0.540 CCC(CCC(C)C)OCC(=O)N 34a_100011216567_100000187820 [0,1,0,0,1,0|2,0,0]=4 2033 B12R0.540 CCC(CCC(C)C)OCC(=O)N 7a_100011216567_100000187820 [0,1,0,0,1,0|2,0,0]=4 2034 B12R0.540 CCC(CCC(C)C)OCC(=O)[O-] 34a_100011216567_100020667443 [0,1,0,0,1,0|1,0,1]=4 2035 B12R0.540 CCN(CCC(=O)C)CCC(C)C 269982a_100000207693_100000053229 [0,1,0,0,1,0|2,0,0]=4 2036 B12R0.540 CCN(CCC(=O)N)CCC(C)C 2230a_100000207693_100000744528 [0,1,0,0,1,0|2,0,0]=4 2037 B12R0.540 CCN(CCC(=O)N)CCC(C)C 2230a_100020645749_100000210312 [0,1,0,0,1,0|2,0,0]=4 2038 B12R0.540 CCN(CCC(=O)N)CCC(C)C 269982a_100000207693_100000744528 [0,1,0,0,1,0|2,0,0]=4 2039 B14R0.195 CC(=O)SCC(C)CNCCC(C)CO 2230a_106354213184_200000116872 [0,1,0,0,0,1|2,0,0]=4 2040 B14R0.195 CC(=O)SCC(C)CNCCC(C)CO 34a_106354213184_200000116872 [0,1,0,0,0,1|2,0,0]=4 2041 B14R0.195 CCC(C)CCNCC(C)CSC(=O)C 2230a_100020591266_200000116872 [0,1,0,0,0,1|2,0,0]=4 2042 B14R0.195 CCC(C)CCOCC(C)CSC(=O)C 7a_100011215188_200000116872 [0,1,0,0,0,1|2,0,0]=4 2043 B14R0.195 COC(C)CCOCC(C)CSC(=O)C 7a_100000764861_200000116872 [0,1,0,0,0,1|2,0,0]=4 2044 B14R0.398 CC(=O)SCC(C)CNC(C)CC(C)C 2230a_100000692259_200000116872 [0,1,0,0,0,1|2,0,0]=4 2045 B14R0.398 CC(=O)SCC(C)COC(C)CC(C)C 34a_100000211805_200000116872 [0,1,0,0,0,1|2,0,0]=4 2046 B14R0.398 CC(=O)SCC(C)COC(C)CC(C)C 7a_100000211805_200000116872 [0,1,0,0,0,1|2,0,0]=4 2047 B14R0.398 CC(=O)SCC(C)CSC(C)CC(C)C 62a_100000731052_200000116872 [0,1,0,0,0,1|2,0,0]=4 2048 B14R0.398 CC(=O)SCC(C)CSC(C)CC(C)C 62a_200000116872_100000731052 [0,1,0,0,0,1|2,0,0]=4 2049 B14R0.400 CC(=O)SCC(C)CNCC(O)C(C)C 2230a_100000759067_200000116872 [0,1,0,0,0,1|2,0,0]=4 2050 B14R0.400 CC(=O)SCC(C)CNCC(O)C(C)C 34a_100000759067_200000116872 [0,1,0,0,0,1|2,0,0]=4 2051 B14R0.400 CC(=O)SCC(C)COC[C@H](N)C(C)C 34a_100011830312_200000116872 [0,1,0,0,0,1|2,0,0]=4 2052 B14R0.401 CC(=O)SCC(C)CNCCC(C)(C)C 2230a_100000738805_200000116872 [0,1,0,0,0,1|2,0,0]=4 2053 B14R0.401 CC(=O)SCC(C)CNCCC(C)(C)F 2230a_100016253952_200000116872 [0,1,0,0,0,1|2,0,0]=4 2054 B14R0.401 CC(=O)SCC(C)COCCC(C)(C)C 7a_100000765024_200000116872 [0,1,0,0,0,1|2,0,0]=4 2055 B14R0.401 CC(=O)SCC(C)CSCCC(C)(C)C 62a_100000755188_200000116872 [0,1,0,0,0,1|2,0,0]=4 2056 B14R0.401 CC(=O)SCC(C)CSCCC(C)(C)C 62a_200000116872_100000755188 [0,1,0,0,0,1|2,0,0]=4 2057 B14R0.401 CC(=O)SCC(C)CSCCC(C)(C)O 62a_100000702414_200000116872 [0,1,0,0,0,1|2,0,0]=4 2058 B14R0.401 CC(=O)SCC(C)CSCCC(C)(C)O 62a_200000116872_100000702414 [0,1,0,0,0,1|2,0,0]=4 2059 B14R0.915 C=C(C)CCC(C)NC(C)CCC(C)C 270004a_100138410893_100011215600 [0,1,0,0,0,1|2,0,0]=4 2060 B14R0.915 CC(=O)OCC(C)NC(C)CCC(C)C 270004a_100138410893_100000000629 [0,1,0,0,0,1|2,0,0]=4 2061 B14R0.915 CC(=O)SCC(C)CC(=O)CCC(C)C 1458a_100000181311_200000116872 [0,1,0,0,0,1|2,0,0]=4 2062 B14R0.915 CC(=O)SCC(C)CN(C)CCC(C)C 2230a_100000742789_200000116872 [0,1,0,0,0,1|2,0,0]=4 2063 B14R0.915 CC(=O)SCC(C)CN(C)CCC(C)C 269982a_100000742789_200000116872 [0,1,0,0,0,1|2,0,0]=4 2064 B14R0.1421 CC(=O)SC[C@@H](C)C(=O)CCCC(C)C 1458a_200015407212_100011214892 [0,1,0,0,0,1|2,0,0]=4 2065 B14R0.1421 CC(C)CCCC(=O)N(C)CCC(=O)N 11a_100000730477_100011216857 [0,1,0,0,0,1|2,0,0]=4 2066 B14R0.1421 CC(C)CCCC(=O)N(C)CCC(=O)N 240690a_100000730477_100011216857 [0,1,0,0,0,1|2,0,0]=4 2067 B14R0.1421 CC(C)CCCC(=O)N(C)CCC(=O)N 527a_100000730477_100011216857 [0,1,0,0,0,1|2,0,0]=4 2068 B14R0.1421 CC(C)CCCC(C)N(C)CCC(=O)N 270004a_100000730477_100000753411 [0,1,0,0,0,1|2,0,0]=4 2069 B14R0.1421 CC(C)CCNC(=O)C(C)NCC(=O)O 269956a_100016091260_100000735922 [0,1,0,0,0,1|1,0,1]=4 2070 B14R0.1421 CC(C)OCCC(C)N(C)CCC(=O)N 270004a_100000730477_200011219172 [0,1,0,0,0,1|2,0,0]=4 2071 B14R0.1749 CNC(=O)CCN(C)CCCCC(C)C 2230a_100000750875_100011216152 [0,1,0,0,0,1|2,0,0]=4 2072 B14R0.1749 CNC(=O)CCN(C)CCCCC(C)C 269982a_100000750875_100011216152 [0,1,0,0,0,1|2,0,0]=4 2073 B14R0.1749 CNC(=O)CNC(C)CCOCC(C)C 270004a_100000693194_200011216429 [0,1,0,0,0,1|2,0,0]=4 2074 B14R0.1749 COC(=O)CCC(=O)CCCCC(C)C 1458a_100000187943_100011216152 [0,1,0,0,0,1|1,0,1]=4 2075 B14R0.1749 COC(=O)CCC(=O)COCCC(C)C 34a_100000210254_100000691467 [0,1,0,0,0,1|1,0,1]=4 2076 B14R0.1749 COC(=O)CCC(=O)COCCC(C)C 7a_100000210254_100000691467 [0,1,0,0,0,1|1,0,1]=4 2077 B14R0.1749 COC(=O)CCC(=O)CSCCC(C)C 62a_100000210312_100000691467 [0,1,0,0,0,1|1,0,1]=4 2078 B14R0.1749 COC(=O)CCC(=O)CSCCC(C)C 62a_100000691467_100000210312 [0,1,0,0,0,1|1,0,1]=4 2079 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 11a_200000737386_100000187943 [0,1,0,0,0,1|1,0,1]=4 2080 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 1626a_200000737386_100000187943 [0,1,0,0,0,1|1,0,1]=4 2081 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 240690a_200000737386_100000187943 [0,1,0,0,0,1|1,0,1]=4 2082 B14R0.1749 COC(=O)CCC(=O)NCCCC(C)C 527a_200000737386_100000187943 [0,1,0,0,0,1|1,0,1]=4 2083 B14R0.1749 COC(=O)CCN(C)CCCCC(C)C 269982a_100025711912_100011216152 [0,1,0,0,0,1|1,0,0]=3 2084 B14R0.1749 COC(=O)CCN(C)CCCCN(C)C 269982a_100025711912_100000690147 [0,1,0,0,0,1|2,0,0]=4 2085 B14R0.2403 CC(=O)OCC(CCl)OCCCC(C)C 7a_200000139349_100011214892 [0,1,0,0,0,1|2,0,0]=4 2086 B14R0.2403 CCN(CCCCC(C)C)CCC(=O)N 2230a_100020645749_100011216152 [0,1,0,0,0,1|2,0,0]=4 2087 B14R0.2660 CC(C)COCCC(C)N(C)CC(=O)N 270004a_100000739694_200011216429 [0,1,0,0,0,1|2,0,0]=4 2088 B14R0.2682 CC(C)COCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_200011216429 [0,1,0,0,0,1|2,0,0]=4 2089 B14R0.222 C=C(C)C(=O)CCC(C)CCCC(C)C 1458a_100000185857_100009816328 [0,1,0,0,0,1|2,0,0]=4 2090 B14R0.222 CC(=O)C(=O)COC(C)CCCC(C)C 34a_200011218570_100011261029 [0,1,0,0,0,1|1,0,1]=4 2091 B14R0.222 CC(C)CCCC(C)CCC(=O)C(O)O 1458a_100000233687_100009816328 [0,1,0,0,0,1|0,0,2]=4 2092 B14R0.222 CC(C)CCCC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100009816328 [0,1,0,0,0,1|1,0,1]=4 2093 B14R0.222 CC(C)CCCC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100009816328 [0,1,0,0,0,1|1,0,1]=4 2094 B14R0.304 C=CC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000185746 [0,1,0,0,0,1|1,0,0]=3 2095 B14R0.304 C=CC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_200121576911 [0,1,0,0,0,1|1,0,0]=3 2096 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 240690a_102516457229_100000210174 [0,1,0,0,0,1|0,0,0]=2 2097 B14R0.304 CC(C)CCCC(C)CCNC(=O)CO 527a_102516457229_100000210174 [0,1,0,0,0,1|0,0,0]=2 2098 B14R0.304 CC(C)CCCC(C)CCNC(C)CO 2230a_102516457229_100012180447 [0,1,0,0,0,1|1,0,1]=4 2099 B14R0.304 CC(C)CCCC(C)CCN[C@H](C)CO 2230a_100000737577_100009816328 [0,1,0,0,0,1|1,0,1]=4 2100 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 34a_100000015991_100012180447 [0,1,0,0,0,1|1,0,1]=4 2101 B14R0.304 CC(C)CCCC(C)CCOC(C)CO 7a_100000015991_100012180447 [0,1,0,0,0,1|1,0,1]=4 2102 B14R0.304 CC(C)CCCC(C)CCSC(C)CO 62a_100012180447_100009816328 [0,1,0,0,0,1|1,0,1]=4 2103 B14R0.304 CC(C)CCCC(C)CCS[C@H](C)CO 62a_100009816328_100016084084 [0,1,0,0,0,1|1,0,1]=4 2104 B14R0.304 CC(C)CCCC(C)CCS[C@H](C)CO 62a_100016084084_100009816328 [0,1,0,0,0,1|1,0,1]=4 2105 B14R0.304 CC(C)CCCC(C)NCCC(C)CO 270004a_106354213184_100000753411 [0,1,0,0,0,1|1,0,1]=4 2106 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 1626a_102516457229_100000210414 [0,1,0,0,0,1|1,0,0]=3 2107 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 240690a_102516457229_100000210414 [0,1,0,0,0,1|1,0,0]=3 2108 B14R0.304 CCC(=O)NCCC(C)CCCC(C)C 527a_102516457229_100000210414 [0,1,0,0,0,1|1,0,0]=3 2109 B14R0.304 CCN(C)CCCN(C)CCCC(=O)O 269956a_100000719178_100015186262 [0,1,0,0,0,1|2,0,0]=4 2110 B14R0.304 CNC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100000737683 [0,1,0,0,0,1|1,0,0]=3 2111 B14R0.304 CNC(=O)CCNC(C)CCCC(C)C 270004a_100000738227_100000753411 [0,1,0,0,0,1|1,0,0]=3 2112 B14R0.304 CNC(=O)CCNC(C)CCOC(C)C 270004a_100000738227_200011219172 [0,1,0,0,0,1|2,0,0]=4 2113 B14R0.304 CNC(=O)CCOC(C)CCCC(C)C 34a_200011218570_100012179268 [0,1,0,0,0,1|1,0,0]=3 2114 B14R0.304 CNC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000737683 [0,1,0,0,0,1|1,0,0]=3 2115 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 2708a_100102657272_102516457229 [0,1,0,0,0,1|1,0,0]=3 2116 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 2708a_102516457229_106832991635 [0,1,0,0,0,1|1,0,0]=3 2117 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 273464a_100102657272_102516457229 [0,1,0,0,0,1|1,0,0]=3 2118 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 273464a_102516457229_100102657272 [0,1,0,0,0,1|1,0,0]=3 2119 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 512a_102516457229_100102657272 [0,1,0,0,0,1|1,0,0]=3 2120 B14R0.304 CNC(=O)NCCC(C)CCCC(C)C 512a_106832991638_102516457229 [0,1,0,0,0,1|1,0,0]=3 2121 B14R0.304 COC(=O)CCCC(=O)CCCC(C)C 1458a_100000239890_100011214892 [0,1,0,0,0,1|1,0,1]=4 2122 B14R0.304 COC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011218270 [0,1,0,0,0,1|1,0,1]=4 2123 B14R0.304 COC(=O)CCCN(C)CCCC(C)C 269982a_100000739225_100011214892 [0,1,0,0,0,1|1,0,0]=3 2124 B14R0.304 COC(=O)CCCN(C)CCCC(C)O 269982a_100000739225_200000718107 [0,1,0,0,0,1|2,0,0]=4 2125 B14R0.304 COC(=O)CCCN(C)CCCN(C)C 269982a_100000225831_100011218270 [0,1,0,0,0,1|2,0,0]=4 2126 B14R0.304 COC(=O)CCCN(C)CCCN(C)C 269982a_100000739225_100000757444 [0,1,0,0,0,1|2,0,0]=4 2127 B14R0.304 COC(=O)CCCN(C)CCOC(C)C 269982a_100000739225_100000211751 [0,1,0,0,0,1|2,0,0]=4 2128 B14R0.304 COC(=O)CCCN(C)CCSC(C)C 269982a_100000739225_100000730970 [0,1,0,0,0,1|2,0,0]=4 2129 B14R0.304 COC(=O)CCNC(=O)CCCC(C)C 188690a_100000683876_100011216857 [0,1,0,0,0,1|1,0,1]=4 2130 B14R0.304 COC(=O)CCNC(C)CCCC(C)C 2230a_100000210607_100000204255 [0,1,0,0,0,1|0,0,0]=2 2131 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 34a_100102619829_100000742370 [0,1,0,0,0,1|0,0,2]=4 2132 B14R0.304 COC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000204255 [0,1,0,0,0,1|0,0,2]=4 2133 B14R0.304 COC(=O)CCOC(C)CCCC(C)C 34a_200011218570_100000742370 [0,1,0,0,0,1|0,0,0]=2 2134 B14R0.304 COC(=O)CCOC(C)CCCC(C)C 7a_200011218570_100000204255 [0,1,0,0,0,1|0,0,0]=2 2135 B14R0.304 COC(=O)CSCC(=O)CCCC(C)C 1458a_100000191316_100011214892 [0,1,0,0,0,1|1,0,1]=4 2136 B14R0.304 COC(C)SCCC(C)CCCC(C)C 62a_100009816328_100009879195 [0,1,0,0,0,1|1,0,1]=4 2137 B14R0.304 COC(C)SCCC(C)CCCC(C)C 62a_100009879195_100009816328 [0,1,0,0,0,1|1,0,1]=4 2138 B14R0.426 CC(=O)CC(=O)NC(C)CCCC(C)C 1458a_100000070787_100000230334 [0,1,0,0,0,1|1,0,1]=4 2139 B14R0.426 CC(C)CC(C)OC(C)CCCC(=O)[O-] 7a_100000761597_100000731052 [0,1,0,0,0,1|1,0,1]=4 2140 B14R0.426 CC(C)CCCC(C)NC(=O)CC(=O)N 240690a_100000210607_100134613110 [0,1,0,0,0,1|1,0,1]=4 2141 B14R0.426 CC(C)CCCC(C)NC(=O)CC(=O)N 527a_100000210607_100134613110 [0,1,0,0,0,1|1,0,1]=4 2142 B14R0.426 CC(CN(C)C)CN(C)CCCC(=O)O 269956a_100000719178_100015348159 [0,1,0,0,0,1|2,0,0]=4 2143 B14R0.2672 C=C(C)CCOC(C)(C)CCCC(C)C 7a_100011215742_100000730704 [0,1,0,0,0,1|2,0,0]=4 2144 B14R0.2672 CC(=O)CCOC(C)(C)CCCC(C)C 7a_100011215742_100000053229 [0,1,0,0,0,1|1,0,0]=3 2145 B14R0.2672 CC(C)CCCC(C)(C)OCCC(=O)N 7a_100011215742_100000744528 [0,1,0,0,0,1|1,0,0]=3 2146 B14R0.2672 CC(C)CCCC(C)(C)OCCC(C)O 7a_100011215742_100012276601 [0,1,0,0,0,1|1,0,1]=4 2147 B14R0.2691 CC(C)CCCC(C)CCNS(=O)(=O)C 40a_102516457229_100000738038 [0,1,0,0,0,1|1,0,1]=4 2148 B14R0.2691 CC(C)CCCC(C)NCCC(C)(C)O 2230a_100000210607_100000702414 [0,1,0,0,0,1|1,0,1]=4 2149 B14R0.2691 CC(C)CCCC(C)NCCC(C)(C)O 270004a_100000707701_100000753411 [0,1,0,0,0,1|1,0,1]=4 2150 B14R0.2691 CC(C)CCCC(C)NCCS(=O)(=O)C 2230a_100000210607_100000731031 [0,1,0,0,0,1|1,0,1]=4 2151 B14R0.2691 CC(C)CCCC(C)NCCS(=O)(=O)C 270004a_100000740961_100000753411 [0,1,0,0,0,1|1,0,1]=4 2152 B14R0.2691 CC(C)CCCC(C)NCCS(=O)(=O)N 270004a_100000738205_100000753411 [0,1,0,0,0,1|1,0,1]=4 2153 B14R0.2691 CC(C)CCCC(C)NCCS(=O)(=O)[O-] 2230a_100000210607_100000737633 [0,1,0,0,0,1|1,0,1]=4 2154 B14R0.2691 CC(C)CCCC(C)OCCC(C)(C)O 34a_200011218570_100000702414 [0,1,0,0,0,1|1,0,1]=4 2155 B14R0.2691 CC(C)CCCC(C)OCCC(C)(C)O 7a_200011218570_100000702414 [0,1,0,0,0,1|1,0,1]=4 2156 B14R0.2691 CC(C)CCCC(C)OCCS(=O)(=O)C 34a_200011218570_100000731031 [0,1,0,0,0,1|1,0,1]=4 2157 B14R0.2691 CC(C)CCCC(C)OCCS(=O)(=O)C 7a_200011218570_100000230027 [0,1,0,0,0,1|1,0,1]=4 2158 B14R0.2691 CC(C)CCCC(C)OCCS(=O)(=O)[O-] 34a_200011218570_100000762736 [0,1,0,0,0,1|1,0,1]=4 2159 B14R0.2691 CC(CCCC(=O)[O-])OCCC(C)(C)C 7a_100000761597_100000755188 [0,1,0,0,0,1|1,0,1]=4 2160 B14R0.2691 CC(CCCC(=O)[O-])OCCC(C)(C)O 7a_100000761597_100000702414 [0,1,0,0,0,1|1,0,1]=4 2161 B14R0.2691 CN(CCCC(=O)O)CCCC(C)(C)O 269956a_100000719178_100009888830 [0,1,0,0,0,1|1,0,0]=3 2162 B14R0.2691 CN(CCCC(=O)O)CCC[N+](C)(C)C 269956a_100000719178_100016990835 [0,1,0,0,0,1|2,0,0]=4 2163 B14R0.2691 CN(CCCC(=O)O)CCC[Si](C)(C)C 269956a_100000719178_100011219597 [0,1,0,0,0,1|1,1,0]=4 2164 B14R0.18 CCN(C)CCCN(C)CCC(=O)OC 269982a_100025711912_100015186262 [0,2,0,0,0,0|2,0,0]=4 2165 B14R0.1477 CNC(=O)CCN(C)C(C)CCC(C)C 2230a_100000750875_100011261404 [0,2,0,0,0,0|2,0,0]=4 2166 B14R0.1477 CNC(=O)CCN(C)C(C)CCC(C)C 269982a_100000750875_100011261404 [0,2,0,0,0,0|2,0,0]=4 2167 B14R0.1477 CNC(=O)CCN(C)C(C)CCC(C)C 270004a_100000750875_100000210476 [0,2,0,0,0,0|2,0,0]=4 2168 B14R0.1477 COC(=O)CCC(=O)C(C)CCC(C)C 1458a_100000187943_100011261404 [0,2,0,0,0,0|1,0,1]=4 2169 B14R0.1477 COC(=O)CCN(C)C(=O)CCC(C)C 11a_100025711912_100000181311 [0,2,0,0,0,0|1,0,1]=4 2170 B14R0.1477 COC(=O)CCN(C)C(=O)CCC(C)C 1626a_100025711912_100000181311 [0,2,0,0,0,0|1,0,1]=4 2171 B14R0.1477 COC(=O)CCN(C)C(=O)CCC(C)C 240690a_100025711912_100000181311 [0,2,0,0,0,0|1,0,1]=4 2172 B14R0.1477 COC(=O)CCN(C)C(=O)CCC(C)C 527a_100025711912_100000181311 [0,2,0,0,0,0|1,0,1]=4 2173 B14R0.1477 COC(=O)CCN(C)C(C)CCC(C)C 269982a_100025711912_100011261404 [0,2,0,0,0,0|1,0,0]=3 2174 B14R0.2194 CN(CCCC(C)(C)C#N)CCC(=O)N 2230a_100000730477_100000759902 [0,2,0,0,0,0|2,0,0]=4 2175 B14R0.2318 COC(CCCN(C)CCC(=O)N)OC 2230a_100000730477_100000069011 [0,2,0,0,0,0|2,0,0]=4 2176 B14R0.2008 CCN(CCC(=O)N)C(C)CCC(C)C 2230a_100020645749_100011261404 [0,2,0,0,0,0|2,0,0]=4 2177 B14R0.2008 CCN(CCC(=O)N)C(C)CCC(C)C 270004a_100020645749_100000210476 [0,2,0,0,0,0|2,0,0]=4 2178 B14R0.1752 CNC(=O)CCN(C)CCCC(C)(C)O 2230a_100000750875_100009888830 [0,2,0,0,0,0|2,0,0]=4 2179 B14R0.1752 CNC(=O)CCN(C)CCCC(C)(C)O 269982a_100000750875_100009888830 [0,2,0,0,0,0|2,0,0]=4 2180 B14R0.1752 COC(=O)CCN(C)CCCC(C)(C)O 269982a_100025711912_100009888830 [0,2,0,0,0,0|1,0,0]=3 2181 B14R0.1752 COC(=O)CCN(C)CCC[N+](C)(C)C 269982a_100025711912_100016990835 [0,2,0,0,0,0|2,0,0]=4 2182 B14R0.1752 COC(=O)CCN(C)CCC[Si](C)(C)C 269982a_100025711912_100011219597 [0,2,0,0,0,0|1,1,0]=4 2183 B14R0.1752 COC(=O)CCN(C)CCOC(C)(C)C 2230a_100000690421_100000204255 [0,2,0,0,0,0|2,0,0]=4 2184 B14R0.1752 COC(=O)CCN(C)CCOC(C)(C)C 269982a_100000690421_100000204255 [0,2,0,0,0,0|2,0,0]=4 2185 B14R0.3946 CCN(CCCC(C)(C)O)CCC(=O)N 2230a_100020645749_100009888830 [0,2,0,0,0,0|2,0,0]=4 2186 B14R0.642 CCC(=O)C(C)NC(C)CCCC(C)C 2230a_100000210607_100000742827 [0,2,0,0,0,0|2,0,0]=4 2187 B14R0.642 CCC(=O)C(C)OC(C)CCCC(C)C 7a_200011218570_100000742827 [0,2,0,0,0,0|2,0,0]=4 2188 B14R0.642 CNC(=O)C(C)NC(C)CCCC(C)C 2230a_100000210607_100000731044 [0,2,0,0,0,0|2,0,0]=4 2189 B14R0.642 CNC(=O)C(C)OC(C)CCCC(C)C 34a_200011218570_100000731044 [0,2,0,0,0,0|2,0,0]=4 2190 B14R0.642 CNC(=O)C(C)OC(C)CCCC(C)C 7a_200011218570_100000209862 [0,2,0,0,0,0|2,0,0]=4 2191 B14R0.642 CNC(=O)C(F)NC(C)CCCC(C)C 2230a_100000210607_100009813575 [0,2,0,0,0,0|2,0,0]=4 2192 B14R0.642 CNC(=O)C(F)OC(C)CCCC(C)C 34a_200011218570_100009813575 [0,2,0,0,0,0|2,0,0]=4 2193 B14R0.642 CNC(=O)C(F)OC(C)CCCC(C)C 7a_200011218570_100009813575 [0,2,0,0,0,0|2,0,0]=4 2194 B14R0.642 COC(=O)C(=O)NC(C)CCCC(C)C 11a_100000210607_100000024059 [0,2,0,0,0,0|1,0,1]=4 2195 B14R0.642 COC(=O)C(=O)NC(C)CCCC(C)C 1626a_100000210607_100000024059 [0,2,0,0,0,0|1,0,1]=4 2196 B14R0.642 COC(=O)C(=O)NC(C)CCCC(C)C 240690a_100000210607_100000024059 [0,2,0,0,0,0|1,0,1]=4 2197 B14R0.642 COC(=O)C(=O)NC(C)CCCC(C)C 527a_100000210607_100000024059 [0,2,0,0,0,0|1,0,1]=4 2198 B14R0.642 COC(=O)C(C)CN(C)CCCN(C)C 269982a_100000225831_100000698445 [0,2,0,0,0,0|2,0,0]=4 2199 B14R0.642 COC(=O)C(C)NC(C)CCCC(C)C 2230a_100000210607_100000211248 [0,2,0,0,0,0|1,0,0]=3 2200 B14R0.642 COC(=O)C(C)OC(C)CCCC(C)C 34a_200011218570_100000211248 [0,2,0,0,0,0|1,0,0]=3 2201 B14R0.642 COC(=O)C(C)OC(C)CCCC(C)C 7a_200011218570_100000211248 [0,2,0,0,0,0|1,0,0]=3 2202 B14R0.2648 CC(=O)C(C)(C)OC(C)CCCC(C)C 7a_200011218570_100000075568 [0,2,0,0,0,0|2,0,0]=4 2203 B14R0.2648 CC(C)CCCC(C)NC(C)(C)C(=O)N 2230a_100000210607_100000702505 [0,2,0,0,0,0|2,0,0]=4 2204 B14R0.2648 CC(C)CCCC(C)OC(C)(C)C(=O)N 34a_200011218570_100000702505 [0,2,0,0,0,0|2,0,0]=4 2205 B14R0.2648 CC(C)CCCC(C)OC(C)(C)C(=O)N 7a_200011218570_100000702505 [0,2,0,0,0,0|2,0,0]=4 2206 B14R0.2648 CC(C)CCCC(C)OC(F)(F)C(=O)N 7a_200011218570_100009811971 [0,2,0,0,0,0|2,0,0]=4 2207 B14R0.2648 CC(C)CCCC(C)OC(F)(F)C(=O)[O-] 34a_200011218570_100020612412 [0,2,0,0,0,0|1,0,1]=4 2208 B14R0.2693 CC(=O)C(C)OC(C)(C)CCCC(C)C 7a_100011215742_100000179758 [0,2,0,0,0,0|2,0,0]=4 2209 B14R0.2693 CC(C)CCCC(C)(C)OC(C)C(=O)N 7a_100011215742_100000702099 [0,2,0,0,0,0|2,0,0]=4 2210 B14R0.2693 CC(C)CCCC(C)(C)OC(F)C(=O)N 7a_100011215742_100009813875 [0,2,0,0,0,0|2,0,0]=4 2211 B14R0.3951 CC(C)CCCC(C)NC(C#N)C(=O)N 270004a_100000039599_100000753411 [0,2,0,0,0,0|2,0,0]=4 2212 B14R0.3951 CC(C)CCCC(C)N[C@@H](CO)C(=O)N 270004a_100000729942_100000753411 [0,2,0,0,0,0|2,0,0]=4 2213 B14R0.3951 CCC(NC(C)CCCC(C)C)C(=O)N 2230a_100000210607_100000750255 [0,2,0,0,0,0|2,0,0]=4 2214 B14R0.3951 CCC(OC(C)CCCC(C)C)C(=O)N 34a_200011218570_100000750255 [0,2,0,0,0,0|2,0,0]=4 2215 B14R0.3951 CCC(OC(C)CCCC(C)C)C(=O)N 7a_200011218570_100000750255 [0,2,0,0,0,0|2,0,0]=4 2216 B14R0.254 CNC(=O)CC(C)N(C)CCCC(C)C 2230a_100015186911_100011214892 [0,2,0,0,0,0|2,0,0]=4 2217 B14R0.254 CNC(=O)CC(C)N(C)CCCC(C)C 269982a_100015186911_100011214892 [0,2,0,0,0,0|2,0,0]=4 2218 B14R0.254 CNC(=O)CN(C)C(C)CCCC(C)C 270004a_100000189611_100000753411 [0,2,0,0,0,0|2,0,0]=4 2219 B14R0.254 COC(=O)CC(=O)C(C)SCCC(C)C 62a_100000210312_100009997173 [0,2,0,0,0,0|1,0,1]=4 2220 B14R0.254 COC(=O)CC(=O)C(C)SCCC(C)C 62a_100009997173_100000210312 [0,2,0,0,0,0|1,0,1]=4 2221 B14R0.254 COC(=O)CC(C)C(=O)CCCC(C)C 1458a_100000037256_100011214892 [0,2,0,0,0,0|1,0,1]=4 2222 B14R0.254 COC(=O)CC(C)N(C)CCCN(C)C 269982a_100000225831_100009817358 [0,2,0,0,0,0|2,0,0]=4 2223 B14R0.254 COC(=O)CN(C)C(C)CCCC(C)C 270004a_100000198492_100000753411 [0,2,0,0,0,0|1,0,0]=3 2224 B14R0.254 COC(=O)CN(C)C(C)CCOC(C)C 270004a_100000198492_200011219172 [0,2,0,0,0,0|2,0,0]=4 2225 B14R0.431 C#CCC(=O)CCC(C)CCCC(C)C 1458a_100011220946_100009816328 [0,2,0,0,0,0|1,0,0]=3 2226 B14R0.431 C=CCC(=O)CCC(C)CCCC(C)C 1458a_100000210193_100009816328 [0,2,0,0,0,0|1,0,0]=3 2227 B14R0.431 C=COC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000036128 [0,2,0,0,0,0|1,0,0]=3 2228 B14R0.431 C=COC(=O)COC(C)CCCC(C)C 34a_200011218570_100000036128 [0,2,0,0,0,0|1,0,0]=3 2229 B14R0.431 CC#CC(=O)CCC(C)CCCC(C)C 1458a_100000763181_100009816328 [0,2,0,0,0,0|1,0,0]=3 2230 B14R0.431 CC(=CCCC(C)CCC(=O)CCO)C 1458a_100011216618_100009814015 [0,2,0,0,0,0|0,0,2]=4 2231 B14R0.431 CC(C)CCCC(C)CCC(=O)C=CBr 1458a_100016273825_100009816328 [0,2,0,0,0,0|1,0,0]=3 2232 B14R0.431 CC(C)CCCC(C)CCC(=O)C=CCl 1458a_200016279998_100009816328 [0,2,0,0,0,0|1,0,0]=3 2233 B14R0.431 CC(C)CCCC(C)CCC(=O)C=CI 1458a_100016256311_100009816328 [0,2,0,0,0,0|1,0,0]=3 2234 B14R0.431 CC(C)CCCC(C)CCC(=O)CC#N 1458a_100051588842_100009816328 [0,2,0,0,0,0|1,0,0]=3 2235 B14R0.431 CC(C)CCCC(C)CCC(=O)CCO 1458a_100011216618_100009816328 [0,2,0,0,0,0|0,0,0]=2 2236 B14R0.431 CC(C)CCCC(C)CCN(C)CCO 2230a_100000210263_100009816328 [0,2,0,0,0,0|2,0,0]=4 2237 B14R0.431 CC(C)CCCC(C)CCN(C)CCO 269982a_100000210263_100009816328 [0,2,0,0,0,0|2,0,0]=4 2238 B14R0.431 CC(C)CCCC(C)NCC(=O)NCO 2230a_100000210607_100000185155 [0,2,0,0,0,0|1,0,0]=3 2239 B14R0.431 CC(C)CCCC(C)OCC(=O)NCO 34a_200011218570_100000185155 [0,2,0,0,0,0|1,0,0]=3 2240 B14R0.431 CC(C)CCCC(C)OCC(=O)NCO 7a_200011218570_100000185155 [0,2,0,0,0,0|1,0,0]=3 2241 B14R0.431 CC=CC(=O)CCC(C)CCCC(C)C 1458a_100000210699_100009816328 [0,2,0,0,0,0|1,0,0]=3 2242 B14R0.431 CCCC(=O)CCC(C)CCCC(C)C 1458a_100000211992_100009816328 [0,2,0,0,0,0|1,0,0]=3 2243 B14R0.431 CCCC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747444 [0,2,0,0,0,0|2,0,0]=4 2244 B14R0.431 CCCC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747444 [0,2,0,0,0,0|2,0,0]=4 2245 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000183381 [0,2,0,0,0,0|2,0,0]=4 2246 B14R0.431 CCNC(=O)CNC(C)CCCC(C)C 270004a_100016988866_100000753411 [0,2,0,0,0,0|2,0,0]=4 2247 B14R0.431 CCNC(=O)COC(C)CCCC(C)C 34a_200011218570_100000183381 [0,2,0,0,0,0|2,0,0]=4 2248 B14R0.431 CCNC(=O)COC(C)CCCC(C)C 7a_200011218570_100000183381 [0,2,0,0,0,0|2,0,0]=4 2249 B14R0.431 CCOC(=O)CCC(=O)CCCC(C)C 1458a_100000183558_100011214892 [0,2,0,0,0,0|1,0,1]=4 2250 B14R0.431 CCOC(=O)CCC(C)NCCC(C)O 2230a_200000755665_100000748298 [0,2,0,0,0,0|2,0,0]=4 2251 B14R0.431 CCOC(=O)CCC(C)OCCC(C)Br 34a_100009893172_100000748298 [0,2,0,0,0,0|2,0,0]=4 2252 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 34a_100000210254_100000748298 [0,2,0,0,0,0|1,0,0]=3 2253 B14R0.431 CCOC(=O)CCC(C)OCCC(C)C 7a_100000210254_100000748298 [0,2,0,0,0,0|1,0,0]=3 2254 B14R0.431 CCOC(=O)CCC(C)OCC[C@@H](C)N 34a_100000706166_100000748298 [0,2,0,0,0,0|2,0,0]=4 2255 B14R0.431 CCOC(=O)CCC(C)SCCC(C)C 62a_100000210312_100000748298 [0,2,0,0,0,0|1,0,0]=3 2256 B14R0.431 CCOC(=O)CCC(C)SCCC(C)C 62a_100000748298_100000210312 [0,2,0,0,0,0|1,0,0]=3 2257 B14R0.431 CCOC(=O)CCC(C)SCCC(C)O 62a_100000748298_100012276601 [0,2,0,0,0,0|2,0,0]=4 2258 B14R0.431 CCOC(=O)CCC(C)SCCC(C)O 62a_100012276601_100000748298 [0,2,0,0,0,0|2,0,0]=4 2259 B14R0.431 CCOC(=O)CCC(C)SCCN(C)C 62a_100000748298_100000755713 [0,2,0,0,0,0|2,0,0]=4 2260 B14R0.431 CCOC(=O)CCC(C)SCOC(C)C 62a_100000709892_100000748298 [0,2,0,0,0,0|2,0,0]=4 2261 B14R0.431 CCOC(=O)CCC(C)SCOC(C)C 62a_100000748298_100000709892 [0,2,0,0,0,0|2,0,0]=4 2262 B14R0.431 CCOC(=O)CCN(C)CCCC(C)C 2230a_100000745921_100011214892 [0,2,0,0,0,0|1,0,0]=3 2263 B14R0.431 CCOC(=O)CCN(C)CCCC(C)C 269982a_100000745921_100011214892 [0,2,0,0,0,0|1,0,0]=3 2264 B14R0.431 CCOC(=O)CCN(C)CCCC(C)O 2230a_100000745921_200000718107 [0,2,0,0,0,0|2,0,0]=4 2265 B14R0.431 CCOC(=O)CCN(C)CCCC(C)O 269982a_100000745921_200000718107 [0,2,0,0,0,0|2,0,0]=4 2266 B14R0.431 CCOC(=O)CCN(C)CCCN(C)C 269982a_100000225831_100011206558 [0,2,0,0,0,0|2,0,0]=4 2267 B14R0.431 CCOC(=O)CCN(C)CCCN(C)C 269982a_100000745921_100000757444 [0,2,0,0,0,0|2,0,0]=4 2268 B14R0.431 CCOC(=O)CCN(C)CCOC(C)C 2230a_100000745921_100000211751 [0,2,0,0,0,0|2,0,0]=4 2269 B14R0.431 CCOC(=O)CCN(C)CCOC(C)C 269982a_100000745921_100000211751 [0,2,0,0,0,0|2,0,0]=4 2270 B14R0.431 CCOC(=O)CCN(C)CCSC(C)C 2230a_100000745921_100000730970 [0,2,0,0,0,0|2,0,0]=4 2271 B14R0.431 CCOC(=O)CCN(C)CCSC(C)C 269982a_100000745921_100000730970 [0,2,0,0,0,0|2,0,0]=4 2272 B14R0.431 CCOC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000188475 [0,2,0,0,0,0|1,0,0]=3 2273 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 34a_200011218570_100000188475 [0,2,0,0,0,0|1,0,0]=3 2274 B14R0.431 CCOC(=O)COC(C)CCCC(C)C 7a_200011218570_100000188475 [0,2,0,0,0,0|1,0,0]=3 2275 B14R0.431 COCC(=O)CCC(C)CCC=C(C)C 1458a_100000210968_100009814015 [0,2,0,0,0,0|0,0,2]=4 2276 B14R0.431 COCC(=O)CCC(C)CCCC(C)C 1458a_100000210968_100009816328 [0,2,0,0,0,0|0,0,0]=2 2277 B14R0.431 CSCC(=O)CCC(C)CCCC(C)C 1458a_100000184570_100009816328 [0,2,0,0,0,0|0,1,0]=3 2278 B14R0.537 CCN(CCCC(C)C)CCC(=O)OC 2230a_100000229097_100011214892 [0,2,0,0,0,0|1,0,0]=3 2279 B14R0.537 CCN(CCCC(C)C)CCC(=O)OC 269982a_100000229097_100011214892 [0,2,0,0,0,0|1,0,0]=3 2280 B14R0.537 CCN(CCCC(C)O)CCC(=O)OC 2230a_100000229097_200000718107 [0,2,0,0,0,0|2,0,0]=4 2281 B14R0.537 CCN(CCCC(C)O)CCC(=O)OC 269982a_100000229097_200000718107 [0,2,0,0,0,0|2,0,0]=4 2282 B14R0.537 CCN(CCCN(C)C)CCC(=O)OC 269982a_100000225837_100000204255 [0,2,0,0,0,0|2,0,0]=4 2283 B14R0.537 CCN(CCCN(C)C)CCC(=O)OC 269982a_100000229097_100000757444 [0,2,0,0,0,0|2,0,0]=4 2284 B14R0.537 CCN(CCOC(C)C)CCC(=O)OC 2230a_100000229097_100000211751 [0,2,0,0,0,0|2,0,0]=4 2285 B14R0.537 CCN(CCOC(C)C)CCC(=O)OC 269982a_100000229097_100000211751 [0,2,0,0,0,0|2,0,0]=4 2286 B14R0.537 CCN(CCSC(C)C)CCC(=O)OC 2230a_100000229097_100000730970 [0,2,0,0,0,0|2,0,0]=4 2287 B14R0.537 CCN(CCSC(C)C)CCC(=O)OC 269982a_100000229097_100000730970 [0,2,0,0,0,0|2,0,0]=4 2288 B14R0.1473 CCC(=O)COC(C)(C)CCCC(C)C 7a_100011215742_100000747405 [0,2,0,0,0,0|2,0,0]=4 2289 B14R0.1473 CNC(=O)COC(C)(C)CCCC(C)C 7a_100011215742_100000183359 [0,2,0,0,0,0|2,0,0]=4 2290 B14R0.1473 COC(=O)COC(C)(C)CCCC(C)C 7a_100011215742_100000747449 [0,2,0,0,0,0|1,0,0]=3 2291 B14R0.1747 COC(=O)CCN(C)CC(C)CN(C)C 269982a_100025711912_100015348159 [0,2,0,0,0,0|2,0,0]=4 2292 B14R0.225 CC(C)CCCN(CCC(=O)N)C(C)C 2230a_100011191440_100011214892 [0,2,0,0,0,0|2,0,0]=4 2293 B14R0.225 CC(C)CCCN(CCC(=O)N)C(C)C 269982a_100011191440_100011214892 [0,2,0,0,0,0|2,0,0]=4 2294 B14R0.3181 C=CC(C)(CCCC(C)C)OCC(=O)N 34a_200000067283_100000187820 [0,2,0,0,0,0|2,0,0]=4 2295 B14R0.3181 C=CC(C)(CCCC(C)C)OCC(=O)N 7a_200000067283_100000187820 [0,2,0,0,0,0|2,0,0]=4 2296 B14R0.3181 C=CC(C)(CCCC(C)C)OCC(=O)[O-] 34a_200000067283_100020667443 [0,2,0,0,0,0|1,0,1]=4 2297 B14R0.3181 CCC(C)(CCCC(C)C)OCC(=O)N 7a_100011215589_100000187820 [0,2,0,0,0,0|2,0,0]=4 2298 B12R1.105 CC(=O)CCCN1CC[C@H](C1)C 269982a_100016987628_100011215641 [1,0,0,1,0,0|2,0,0]=4 2299 B12R1.105 CC(=O)CCCN1CC[C@H](C1)C 34a_100016987628_100000685027 [1,0,0,1,0,0|2,0,0]=4 2300 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [1,0,0,1,0,0|2,0,0]=4 2301 B12R1.105 CC(C)CCOC1COC(=O)O1 34a_100000210254_100000032252 [1,0,0,1,0,0|2,0,0]=4 2302 B12R1.105 CC(C)CCSC1COC(=O)O1 62a_100000210312_100000032252 [1,0,0,1,0,0|2,0,0]=4 2303 B12R1.105 CC(C)CNCC1CNC(=O)O1 2230a_100000210953_100000181169 [1,0,0,1,0,0|2,0,0]=4 2304 B12R1.105 CC(C)CNCC1CNC(=O)O1 34a_100000210953_100000181169 [1,0,0,1,0,0|2,0,0]=4 2305 B12R1.105 CC(C)CNCC1COC(=O)O1 34a_100000210953_100000073702 [1,0,0,1,0,0|2,0,0]=4 2306 B12R1.105 CC(C)CNC[C@@H]1CCC(=O)N1 2230a_100000210953_100015189358 [1,0,0,1,0,0|2,0,0]=4 2307 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 2230a_100015423886_100000210760 [1,0,0,1,0,0|2,0,0]=4 2308 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 270004a_100015423886_100000210432 [1,0,0,1,0,0|2,0,0]=4 2309 B12R1.105 CC(C)CNC[C@H]1CCC(=O)N1 34a_100015423886_100000210624 [1,0,0,1,0,0|2,0,0]=4 2310 B12R1.105 CC(C)COCC1CCC(=O)N1 34a_100000737831_100000210624 [1,0,0,1,0,0|2,0,0]=4 2311 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100000210257_100000181169 [1,0,0,1,0,0|2,0,0]=4 2312 B12R1.105 CC(C)COCC1CNC(=O)O1 34a_100011315639_100000210624 [1,0,0,1,0,0|2,0,0]=4 2313 B12R1.105 CC(C)COCC1COC(=O)O1 34a_100000210257_100000073702 [1,0,0,1,0,0|2,0,0]=4 2314 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000181169_100000210760 [1,0,0,1,0,0|2,0,0]=4 2315 B12R1.105 CC(C)CSCC1CNC(=O)O1 62a_100000210624_100000181169 [1,0,0,1,0,0|2,0,0]=4 2316 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000073702_100000210760 [1,0,0,1,0,0|2,0,0]=4 2317 B12R1.105 CC(C)CSCC1COC(=O)O1 62a_100000210624_100000073702 [1,0,0,1,0,0|2,0,0]=4 2318 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100000210624_100015189358 [1,0,0,1,0,0|2,0,0]=4 2319 B12R1.105 CC(C)CSC[C@@H]1CCC(=O)N1 62a_100015189358_100000210760 [1,0,0,1,0,0|2,0,0]=4 2320 B12R1.105 CC1CCC(C1)OCCC(=O)N 34a_100000698185_100000731001 [1,0,0,1,0,0|2,0,0]=4 2321 B12R1.105 CN1CCC(C1)CNCC(=O)O 269956a_100016091260_200000690779 [1,0,0,1,0,0|2,0,0]=4 2322 B12R1.105 C[C@@H]1CCN(C1)CCCC(=O)N 269982a_100016987628_100102525003 [1,0,0,1,0,0|2,0,0]=4 2323 B12R1.105 C[C@@H]1CCN(C1)CCCC(=O)N 34a_100016987628_100102525003 [1,0,0,1,0,0|2,0,0]=4 2324 B12R1.143 CC(=O)CCCOCC1CC1C 34a_100000744939_100000685027 [1,0,0,1,0,0|2,0,0]=4 2325 B12R1.143 CC(=O)CCCOCC1CC1C 7a_100000744939_100011215641 [1,0,0,1,0,0|2,0,0]=4 2326 B12R1.143 CC1CC1COCCCC(=O)N 34a_100000744939_100102525003 [1,0,0,1,0,0|2,0,0]=4 2327 B12R1.143 CC1CC1COCCCC(=O)N 7a_100000744939_100102525003 [1,0,0,1,0,0|2,0,0]=4 2328 B12R1.220 CC(=O)CCCCN1CC(C1)C 269982a_100000702820_100000735457 [1,0,0,1,0,0|2,0,0]=4 2329 B12R1.220 CC(=O)CCCCN1CC(C1)C 34a_100000702820_100009817362 [1,0,0,1,0,0|2,0,0]=4 2330 B12R1.220 CC(C)CCCSC1CC(=O)C1 62a_100009894365_100011214892 [1,0,0,1,0,0|2,0,0]=4 2331 B12R1.220 CC(C)CCOCC1CC(=O)C1 34a_100000101936_100000210312 [1,0,0,1,0,0|2,0,0]=4 2332 B12R1.220 CC(C)CCOCC1CC(=O)C1 7a_100000210254_100009874392 [1,0,0,1,0,0|2,0,0]=4 2333 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100000210312_100009874392 [1,0,0,1,0,0|2,0,0]=4 2334 B12R1.220 CC(C)CCSCC1CC(=O)C1 62a_100009874392_100000210312 [1,0,0,1,0,0|2,0,0]=4 2335 B12R1.226 CC(=O)CCC1CCCN(C1)C 1458a_100015186358_200000210301 [1,0,0,1,0,0|2,0,0]=4 2336 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [1,0,0,1,0,0|2,0,0]=4 2337 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [1,0,0,1,0,0|2,0,0]=4 2338 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [1,0,0,1,0,0|2,0,0]=4 2339 B12R1.226 CC(C)COC1CCCC(=O)C1 34a_100012613340_100000210624 [1,0,0,1,0,0|2,0,0]=4 2340 B12R1.226 CC(C)OCC1CCCC(=O)N1 34a_200000102386_100000210206 [1,0,0,1,0,0|2,0,0]=4 2341 B12R1.226 CC1CCCC(C1)NCC(=O)N 2230a_100011194320_100000747473 [1,0,0,1,0,0|2,0,0]=4 2342 B12R1.226 CC1CCCC(C1)NCC(=O)N 34a_100011194320_100000187820 [1,0,0,1,0,0|2,0,0]=4 2343 B12R1.226 CC1CCCC(C1)NCC(=O)[O-] 34a_100011194320_100020667443 [1,0,0,1,0,0|1,0,1]=4 2344 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [1,0,0,1,0,0|2,0,0]=4 2345 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [1,0,0,1,0,0|1,0,1]=4 2346 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [1,0,0,1,0,0|2,0,0]=4 2347 B12R1.226 CN1CCCC(C1)CCC(=O)N 2230a_100011533967_200000210301 [1,0,0,1,0,0|2,0,0]=4 2348 B12R1.226 CN1CCCC(C1)CCC(=O)N 269982a_100011533967_200000210301 [1,0,0,1,0,0|2,0,0]=4 2349 B12R1.226 CN1CCCC(C1)CCC(=O)N 34a_100011533967_200000210301 [1,0,0,1,0,0|2,0,0]=4 2350 B12R1.226 CN1CCCC(C1)CCC(=O)[13CH3] 1458a_100015186358_200025704644 [1,0,0,1,0,0|2,0,0]=4 2351 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 2230a_100000717927_100000744528 [1,0,0,1,0,0|2,0,0]=4 2352 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 269982a_100000717927_100000744528 [1,0,0,1,0,0|2,0,0]=4 2353 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 34a_100000717927_100000731001 [1,0,0,1,0,0|2,0,0]=4 2354 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 2230a_100011533967_200025704644 [1,0,0,1,0,0|2,0,0]=4 2355 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 269982a_100011533967_200025704644 [1,0,0,1,0,0|2,0,0]=4 2356 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 34a_100011533967_200025704644 [1,0,0,1,0,0|2,0,0]=4 2357 B12R1.261 CC(=O)C1CCCCN1C(C)C 1458a_100000755935_200000210301 [1,0,0,1,0,0|2,0,0]=4 2358 B12R1.261 CC(=O)N1CCCCC1C(C)C 11a_100000757267_100015343762 [1,0,0,1,0,0|2,0,0]=4 2359 B12R1.261 CC(=O)N1CCCCC1C(C)C 1626a_100000757267_100015343762 [1,0,0,1,0,0|2,0,0]=4 2360 B12R1.261 CC(=O)N1CCCCC1C(C)C 240690a_100000757267_100015343762 [1,0,0,1,0,0|2,0,0]=4 2361 B12R1.261 CC(C)N1CCCCC1C(=O)N 2230a_100000181395_100000210206 [1,0,0,1,0,0|2,0,0]=4 2362 B12R1.261 CC(C)N1CCCCC1C(=O)N 269982a_100000181395_100000210206 [1,0,0,1,0,0|2,0,0]=4 2363 B12R1.261 CC(C)N1CCCCC1C(=O)N 34a_100000181395_100000210206 [1,0,0,1,0,0|2,0,0]=4 2364 B12R1.261 CC(C)N1CCCCC1C(=O)[13CH3] 1458a_100000755935_200025704644 [1,0,0,1,0,0|2,0,0]=4 2365 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [1,0,0,1,0,0|1,0,0]=3 2366 B12R1.261 CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210206 [1,0,0,1,0,0|2,0,0]=4 2367 B12R1.261 CC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000210206 [1,0,0,1,0,0|2,0,0]=4 2368 B12R1.261 CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000210206 [1,0,0,1,0,0|2,0,0]=4 2369 B12R1.390 CC(=O)CCCCNCC1CC1 34a_100000735609_100009817362 [1,0,0,1,0,0|2,0,0]=4 2370 B12R1.390 CC(=O)CCCCOCC1CC1 34a_100000211283_100009817362 [1,0,0,1,0,0|2,0,0]=4 2371 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000735457_100000742324 [1,0,0,1,0,0|2,0,0]=4 2372 B12R1.390 CC(=O)CCCCSCC1CC1 62a_100000756562_100000735457 [1,0,0,1,0,0|2,0,0]=4 2373 B12R1.390 CC(=O)CCCNCCC1CC1 34a_100000764129_100000685027 [1,0,0,1,0,0|2,0,0]=4 2374 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000754188_100000685027 [1,0,0,1,0,0|2,0,0]=4 2375 B12R1.390 CC(=O)CCCOCCC1CC1 34a_100000759063_100000694398 [1,0,0,1,0,0|2,0,0]=4 2376 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000754188_100011215641 [1,0,0,1,0,0|2,0,0]=4 2377 B12R1.390 CC(=O)CCCOCCC1CC1 7a_100000759063_100000764125 [1,0,0,1,0,0|2,0,0]=4 2378 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100000764125_100011215641 [1,0,0,1,0,0|2,0,0]=4 2379 B12R1.390 CC(=O)CCCSCCC1CC1 62a_100011215641_100000764125 [1,0,0,1,0,0|2,0,0]=4 2380 B12R1.390 NC(=O)CCCCCNC1CC1 34a_100000212008_100009817443 [1,0,0,1,0,0|2,0,0]=4 2381 B12R1.390 NC(=O)CCCCCOC1CC1 34a_100000123541_100000211595 [1,0,0,1,0,0|2,0,0]=4 2382 B12R1.390 NC(=O)CCCCCSC1CC1 62a_100009817443_100000211595 [1,0,0,1,0,0|2,0,0]=4 2383 B12R1.390 NC(=O)CCCCNCC1CC1 269862a_100000696515_100000741477 [1,0,0,1,0,0|2,0,0]=4 2384 B12R1.390 NC(=O)CCCCNCC1CC1 34a_100000696515_100000742324 [1,0,0,1,0,0|2,0,0]=4 2385 B12R1.390 NC(=O)CCCCOCC1CC1 34a_100012022536_100000742324 [1,0,0,1,0,0|2,0,0]=4 2386 B12R1.390 NC(=O)CCCCOCC1CC1 7a_100012022536_100000742324 [1,0,0,1,0,0|2,0,0]=4 2387 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000739312_100000694398 [1,0,0,1,0,0|2,0,0]=4 2388 B12R1.390 NC(=O)CCCNCCC1CC1 34a_100000764129_100102525003 [1,0,0,1,0,0|2,0,0]=4 2389 B12R1.390 NC(=O)CCCOCCC1CC1 34a_100000754188_100102525003 [1,0,0,1,0,0|2,0,0]=4 2390 B12R1.390 NC(=O)CCCOCCC1CC1 7a_100000754188_100102525003 [1,0,0,1,0,0|2,0,0]=4 2391 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100000764125_100102525003 [1,0,0,1,0,0|2,0,0]=4 2392 B12R1.390 NC(=O)CCCSCCC1CC1 62a_100102525003_100000764125 [1,0,0,1,0,0|2,0,0]=4 2393 B12R1.390 O=C(O)COCCNCC1CC1 269956a_100000700818_100000742324 [1,0,0,1,0,0|2,0,0]=4 2394 B12R1.392 CC(=O)C1CCCN1CC(C)C 1458a_100000737922_200000210301 [1,0,0,1,0,0|2,0,0]=4 2395 B12R1.392 CC(=O)N1CCCC1CC(C)C 11a_100000748429_100015343762 [1,0,0,1,0,0|2,0,0]=4 2396 B12R1.392 CC(=O)N1CCCC1CC(C)C 1626a_100000748429_100015343762 [1,0,0,1,0,0|2,0,0]=4 2397 B12R1.392 CC(=O)N1CCCC1CC(C)C 240690a_100000748429_100015343762 [1,0,0,1,0,0|2,0,0]=4 2398 B12R1.392 CC(=O)N1CCCC1CC(C)C 527a_100000748429_100103153847 [1,0,0,1,0,0|2,0,0]=4 2399 B12R1.392 CC(C)C1CCCN1CC(=O)N 2230a_100000762757_100000747473 [1,0,0,1,0,0|2,0,0]=4 2400 B12R1.392 CC(C)C1CCCN1CC(=O)N 269982a_100000762757_100000187820 [1,0,0,1,0,0|2,0,0]=4 2401 B12R1.392 CC(C)C1CCCN1CC(=O)N 34a_100000762757_100000187820 [1,0,0,1,0,0|2,0,0]=4 2402 B12R1.392 CC(C)C1CCCN1CC(=O)[O-] 269982a_100000762757_100020667443 [1,0,0,1,0,0|1,0,1]=4 2403 B12R1.392 CC(C)C1CCCN1CC(=O)[O-] 34a_100000762757_100020667443 [1,0,0,1,0,0|1,0,1]=4 2404 B12R1.392 CC(C)CN1CCCC1C(=O)[13CH3] 1458a_100000737922_200025704644 [1,0,0,1,0,0|2,0,0]=4 2405 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210760 [1,0,0,1,0,0|2,0,0]=4 2406 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)N 270004a_100000003125_100000210432 [1,0,0,1,0,0|2,0,0]=4 2407 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [1,0,0,1,0,0|1,0,0]=3 2408 B12R1.392 CC(C)CN1CCSC1C(=O)O 269956a_100000035718_100000210760 [1,0,0,1,0,0|2,0,0]=4 2409 B12R1.392 CC(C)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210760 [1,0,0,1,0,0|2,0,0]=4 2410 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [1,0,0,1,0,0|2,0,0]=4 2411 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [1,0,0,1,0,0|2,0,0]=4 2412 B12R1.924 CC(=O)CCN1CCCC1(C)C 269982a_100000761399_100000053229 [1,0,0,1,0,0|2,0,0]=4 2413 B12R1.924 CC1(CCCC1OCC(=O)N)C 34a_100000726220_100000187820 [1,0,0,1,0,0|2,0,0]=4 2414 B12R1.924 CC1(CCCC1OCC(=O)N)C 7a_100000726220_100000187820 [1,0,0,1,0,0|2,0,0]=4 2415 B12R1.924 CC1(CCCC1OCC(=O)[O-])C 34a_100000726220_100020667443 [1,0,0,1,0,0|1,0,1]=4 2416 B12R1.924 CC1(CCCN1CCC(=O)N)C 2230a_100000761399_100000744528 [1,0,0,1,0,0|2,0,0]=4 2417 B12R1.924 CC1(CCCN1CCC(=O)N)C 269982a_100000761399_100000744528 [1,0,0,1,0,0|2,0,0]=4 2418 B12R1.924 CC1(CCCN1CCC(=O)N)C 34a_100000761399_100000731001 [1,0,0,1,0,0|2,0,0]=4 2419 B12R1.1347 CC(=O)CCOCC1CC1(C)C 7a_100000728257_100000053229 [1,0,0,1,0,0|2,0,0]=4 2420 B12R1.1347 CC1(CC1COCCC(=O)N)C 34a_100000728257_100000731001 [1,0,0,1,0,0|2,0,0]=4 2421 B12R1.1347 CC1(CC1COCCC(=O)N)C 7a_100000728257_100000744528 [1,0,0,1,0,0|2,0,0]=4 2422 B12R1.1804 CC(C)CCN1CCC1C(=O)O 269956a_100000021838_100000210312 [1,0,0,1,0,0|1,0,0]=3 2423 B12R1.1804 CC(C)OCN1CCC1C(=O)O 269956a_100000021838_100000709892 [1,0,0,1,0,0|2,0,0]=4 2424 B12R1.1804 CC(O)CCN1CCC1C(=O)O 269956a_100000021838_100012276601 [1,0,0,1,0,0|2,0,0]=4 2425 B12R1.1804 CN(C)CCN1CCC1C(=O)O 269956a_100000021838_100000755713 [1,0,0,1,0,0|2,0,0]=4 2426 B12R1.1 CCCCNC1CCC(=O)NC1 2230a_100000748762_100000210211 [1,0,0,1,0,0|2,0,0]=4 2427 B12R1.1 CCCCNC1CCC(=O)NC1 34a_100000748762_100000210210 [1,0,0,1,0,0|2,0,0]=4 2428 B12R1.1 CCCCOC1CCC(=O)CC1 34a_100000764474_100000210210 [1,0,0,1,0,0|2,0,0]=4 2429 B12R1.1 CCCCOC1CCC(=O)CC1 7a_100000764474_100000210211 [1,0,0,1,0,0|2,0,0]=4 2430 B12R1.1 CCCCOC1CCC(=O)NC1 34a_100000079199_100000210210 [1,0,0,1,0,0|2,0,0]=4 2431 B12R1.1 CCCOCC1CCC(=O)CC1 34a_100000062911_100000210303 [1,0,0,1,0,0|2,0,0]=4 2432 B12R1.46 CCN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210202 [1,0,0,1,0,0|2,0,0]=4 2433 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [1,0,0,1,0,0|1,0,0]=3 2434 B12R1.46 C[C@@H]1CCN([C@H](C1)C(=O)O)CF 269956a_100009817619_100015361967 [1,0,0,1,0,0|2,0,0]=4 2435 B12R1.54 CC(=O)CCN(C)C1CCCC1 269982a_100000207505_100000053229 [1,0,0,1,0,0|2,0,0]=4 2436 B12R1.54 CC(NCC(=O)N)C1CCCC1 2230a_100015185923_100000747473 [1,0,0,1,0,0|2,0,0]=4 2437 B12R1.54 CC(NCC(=O)N)C1CCCC1 34a_100015185923_100000187820 [1,0,0,1,0,0|2,0,0]=4 2438 B12R1.54 CC(NCC(=O)[O-])C1CCCC1 34a_100015185923_100020667443 [1,0,0,1,0,0|1,0,1]=4 2439 B12R1.54 CC(OCC(=O)N)C1CCCC1 34a_100011216366_100000187820 [1,0,0,1,0,0|2,0,0]=4 2440 B12R1.54 CC(OCC(=O)N)C1CCCC1 7a_100011216366_100000187820 [1,0,0,1,0,0|2,0,0]=4 2441 B12R1.54 CC(OCC(=O)[O-])C1CCCC1 34a_100011216366_100020667443 [1,0,0,1,0,0|1,0,1]=4 2442 B12R1.54 CN(CCC(=O)N)C1CCCC1 2230a_100000207505_100000744528 [1,0,0,1,0,0|2,0,0]=4 2443 B12R1.54 CN(CCC(=O)N)C1CCCC1 2230a_100000730477_100000179811 [1,0,0,1,0,0|2,0,0]=4 2444 B12R1.54 CN(CCC(=O)N)C1CCCC1 269982a_100000207505_100000744528 [1,0,0,1,0,0|2,0,0]=4 2445 B12R1.54 CN(CCC(=O)N)C1CCCC1 270004a_100000730477_100000210133 [1,0,0,1,0,0|2,0,0]=4 2446 B12R1.54 CN(CCC(=O)N)C1CCCC1 34a_100000207505_100000731001 [1,0,0,1,0,0|2,0,0]=4 2447 B12R1.59 CCC1CCC(C1)CCC(=O)C 1458a_200009887184_200000210301 [1,0,0,1,0,0|1,0,0]=3 2448 B12R1.59 CCC1CCC(C1)CCC(=O)[13CH3] 1458a_200009887184_200025704644 [1,0,0,1,0,0|1,0,0]=3 2449 B12R1.59 CCN1CCC(C1)NCC(=O)O 269956a_100016091260_200011861547 [1,0,0,1,0,0|2,0,0]=4 2450 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210207 [1,0,0,1,0,0|2,0,0]=4 2451 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210207 [1,0,0,1,0,0|2,0,0]=4 2452 B12R1.486 CCCCCN(C)C1CC(=O)C1 269982a_100000223495_100009894365 [1,0,0,1,0,0|2,0,0]=4 2453 B12R1.551 CC(=O)CCN(C)CC1CCC1 269982a_200000750244_100000053229 [1,0,0,1,0,0|2,0,0]=4 2454 B12R1.551 CN(CCC(=O)N)CC1CCC1 2230a_100000730477_100000763275 [1,0,0,1,0,0|2,0,0]=4 2455 B12R1.551 CN(CCC(=O)N)CC1CCC1 2230a_200000750244_100000744528 [1,0,0,1,0,0|2,0,0]=4 2456 B12R1.551 CN(CCC(=O)N)CC1CCC1 269982a_200000750244_100000744528 [1,0,0,1,0,0|2,0,0]=4 2457 B12R1.551 CN(CCC(=O)N)CC1CCC1 34a_200000750244_100000731001 [1,0,0,1,0,0|2,0,0]=4 2458 B12R1.552 CN(CCC(=O)N)CCC1CC1 2230a_100000730477_100000694398 [1,0,0,1,0,0|2,0,0]=4 2459 B12R1.1009 CC1CCCC(N1CC(=O)N)C 2230a_100000210447_100000747473 [1,0,0,1,0,0|2,0,0]=4 2460 B12R1.1009 CC1CCCC(N1CC(=O)N)C 269982a_100000210447_100000187820 [1,0,0,1,0,0|2,0,0]=4 2461 B12R1.1009 CC1CCCC(N1CC(=O)N)C 34a_100000210447_100000187820 [1,0,0,1,0,0|2,0,0]=4 2462 B12R1.1009 CC1CCCC(N1CC(=O)[O-])C 269982a_100000210447_100020667443 [1,0,0,1,0,0|1,0,1]=4 2463 B12R1.1009 CC1CCCC(N1CC(=O)[O-])C 34a_100000210447_100020667443 [1,0,0,1,0,0|1,0,1]=4 2464 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [1,0,0,1,0,0|2,0,0]=4 2465 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [1,0,0,1,0,0|2,0,0]=4 2466 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [1,0,0,1,0,0|2,0,0]=4 2467 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [1,0,0,1,0,0|2,0,0]=4 2468 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 2469 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 2470 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [1,0,0,1,0,0|2,0,0]=4 2471 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [1,0,0,1,0,0|2,0,0]=4 2472 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [1,0,0,1,0,0|2,0,0]=4 2473 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [1,0,0,1,0,0|2,0,0]=4 2474 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [1,0,0,1,0,0|2,0,0]=4 2475 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [1,0,0,1,0,0|2,0,0]=4 2476 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [1,0,0,1,0,0|2,0,0]=4 2477 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [1,0,0,1,0,0|2,0,0]=4 2478 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [1,0,0,1,0,0|2,0,0]=4 2479 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [1,0,0,1,0,0|2,0,0]=4 2480 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [1,0,0,1,0,0|2,0,0]=4 2481 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [1,0,0,1,0,0|1,0,0]=3 2482 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [1,0,0,1,0,0|1,0,1]=4 2483 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [1,0,0,1,0,0|1,0,1]=4 2484 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [1,0,0,1,0,0|1,0,1]=4 2485 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [1,0,0,1,0,0|1,0,1]=4 2486 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [1,0,0,1,0,0|2,0,0]=4 2487 B12R1.1416 CCCCCN1CC(C1)C(=O)N 34a_100025753142_100000718602 [1,0,0,1,0,0|2,0,0]=4 2488 B12R1.1416 CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210211 [1,0,0,1,0,0|1,0,0]=3 2489 B12R1.1416 CCOCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000739092 [1,0,0,1,0,0|2,0,0]=4 2490 B12R1.1416 COCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000233755 [1,0,0,1,0,0|2,0,0]=4 2491 B12R1.1416 CSCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000212216 [1,0,0,1,0,0|2,0,0]=4 2492 B12R1.1416 O=C(O)[C@H]1C[C@H](C1)NCCCF 269956a_100000738708_100011934791 [1,0,0,1,0,0|2,0,0]=4 2493 B12R1.1416 O=C(O)[C@H]1C[C@H](C1)NCCCO 269956a_100000738708_100011215043 [1,0,0,1,0,0|2,0,0]=4 2494 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [1,0,0,1,0,0|2,0,0]=4 2495 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [1,0,0,1,0,0|2,0,0]=4 2496 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [1,0,0,1,0,0|2,0,0]=4 2497 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [1,0,0,1,0,0|2,0,0]=4 2498 B12R1.3110 CC1(CCCCC1)NCC(=O)N 2230a_100000741114_100000747473 [1,0,0,1,0,0|2,0,0]=4 2499 B12R1.3110 CC1(CCCCC1)NCC(=O)N 34a_100000741114_100000187820 [1,0,0,1,0,0|2,0,0]=4 2500 B12R1.3110 CC1(CCCCC1)NCC(=O)[O-] 34a_100000741114_100020667443 [1,0,0,1,0,0|1,0,1]=4 2501 B12R1.3110 CC1(CCCCC1)OCC(=O)N 34a_100011215885_100000187820 [1,0,0,1,0,0|2,0,0]=4 2502 B12R1.3110 CC1(CCCCC1)OCC(=O)N 7a_100011215885_100000187820 [1,0,0,1,0,0|2,0,0]=4 2503 B12R1.3110 CC1(CCCCC1)OCC(=O)[O-] 34a_100011215885_100020667443 [1,0,0,1,0,0|1,0,1]=4 2504 B12R1.29 C=CCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100000762624 [1,0,0,1,0,0|2,0,0]=4 2505 B12R1.29 C=CCCN(C)C1CCC(C1)C 270004a_100020639649_100011215218 [1,0,0,1,0,0|2,0,0]=4 2506 B12R1.29 CC1CCC(C1)N(C)CCCO 270004a_100000213112_100011215218 [1,0,0,1,0,0|1,0,1]=4 2507 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 2230a_100025773825_200025704644 [1,0,0,1,0,0|2,0,0]=4 2508 B12R1.57 CC(C)[C@@H]1CC[C@H](C[C@H]1N[13CH3])C 34a_100025773825_200025704644 [1,0,0,1,0,0|2,0,0]=4 2509 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 34a_100000763588_200025704644 [1,0,0,1,0,0|2,0,0]=4 2510 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1O[13CH3])C 7a_100000763588_200025704644 [1,0,0,1,0,0|2,0,0]=4 2511 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200009893639_200025704644 [1,0,0,1,0,0|2,0,0]=4 2512 B12R1.57 CC(C)[C@H]1CC[C@@H](C[C@@H]1S[13CH3])C 62a_200025704644_200009893639 [1,0,0,1,0,0|2,0,0]=4 2513 B12R1.57 CNC1C[C@@H](CC[C@H]1C(C)C)C 269862a_106832991636_100009815803 [1,0,0,1,0,0|2,0,0]=4 2514 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 2230a_100025773825_200000210301 [1,0,0,1,0,0|2,0,0]=4 2515 B12R1.57 CN[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 34a_100025773825_200000210301 [1,0,0,1,0,0|2,0,0]=4 2516 B12R1.57 CN[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100102657272_200009893639 [1,0,0,1,0,0|2,0,0]=4 2517 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100000763588_200000210301 [1,0,0,1,0,0|2,0,0]=4 2518 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 34a_100138415774_200009893639 [1,0,0,1,0,0|2,0,0]=4 2519 B12R1.57 CO[C@H]1C[C@H](CC[C@@H]1C(C)C)C 7a_100000763588_200000210301 [1,0,0,1,0,0|2,0,0]=4 2520 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200000210301_200009893639 [1,0,0,1,0,0|2,0,0]=4 2521 B12R1.57 CS[C@H]1C[C@H](CC[C@@H]1C(C)C)C 62a_200009893639_200000210301 [1,0,0,1,0,0|2,0,0]=4 2522 B12R1.252 CC(C)CCCN1CC=CCC1 2230a_100000698166_100011214892 [1,0,0,1,0,0|2,0,0]=4 2523 B12R1.252 CC(C)CCCN1CC=CCC1 269982a_100000698166_100011214892 [1,0,0,1,0,0|2,0,0]=4 2524 B12R1.252 CC(C)CCCN1CC=CCC1 34a_100000698166_100011214892 [1,0,0,1,0,0|2,0,0]=4 2525 B12R1.252 CC(C)CCCN1CCCOC1 2230a_100000131196_100011214892 [1,0,0,1,0,0|1,0,1]=4 2526 B12R1.252 CC(C)CCCN1CCCOC1 269982a_100000131196_100011214892 [1,0,0,1,0,0|1,0,1]=4 2527 B12R1.252 CC(C)CCCN1CCCOC1 34a_100000131196_100011214892 [1,0,0,1,0,0|1,0,1]=4 2528 B12R1.252 CC(C)CCNC1CCCOC1 2230a_100000719290_100000210312 [1,0,0,1,0,0|1,0,1]=4 2529 B12R1.252 CC(C)CCNC1CCCOC1 269862a_100000719290_100000185833 [1,0,0,1,0,0|1,0,1]=4 2530 B12R1.252 CC(C)CCNC1CCCOC1 270004a_100000210545_100000753404 [1,0,0,1,0,0|1,0,1]=4 2531 B12R1.252 CC(C)CCNC1CCCOC1 34a_100000719290_100000210312 [1,0,0,1,0,0|1,0,1]=4 2532 B12R1.252 CC(C)CCOC1CC=CCC1 34a_100000073881_100000210312 [1,0,0,1,0,0|2,0,0]=4 2533 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000210254_100000693364 [1,0,0,1,0,0|1,0,1]=4 2534 B12R1.252 CC(C)CCOC1CCCOC1 34a_100000754041_100000210312 [1,0,0,1,0,0|1,0,1]=4 2535 B12R1.252 CC(C)CCOC1CCCOC1 7a_100000210254_100000693364 [1,0,0,1,0,0|1,0,1]=4 2536 B12R1.252 CC(C)CCSC1CCCOC1 62a_100000210312_100000693364 [1,0,0,1,0,0|1,0,1]=4 2537 B12R1.252 CC(C)CNCC1CC=CCC1 270004a_100000210953_100000189434 [1,0,0,1,0,0|2,0,0]=4 2538 B12R1.252 CC(C)CNCC1CCCOC1 2230a_100000210953_100000741521 [1,0,0,1,0,0|1,0,1]=4 2539 B12R1.252 CC(C)CNCC1CCCOC1 2230a_100000720124_100000210760 [1,0,0,1,0,0|1,0,1]=4 2540 B12R1.252 CC(C)CNCC1CCCOC1 270004a_100000720124_100000210432 [1,0,0,1,0,0|1,0,1]=4 2541 B12R1.252 CC(C)CNCC1CCCOC1 34a_100000210953_100000741521 [1,0,0,1,0,0|1,0,1]=4 2542 B12R1.252 CC(C)CNCC1CCCOC1 34a_100000720124_100000210624 [1,0,0,1,0,0|1,0,1]=4 2543 B12R1.252 CC(C)COCC1CC=CCC1 34a_100000210713_100000210624 [1,0,0,1,0,0|2,0,0]=4 2544 B12R1.252 CC(C)COCC1CCCOC1 34a_100000210257_100000741521 [1,0,0,1,0,0|1,0,1]=4 2545 B12R1.252 CC(C)COCC1CCCOC1 34a_100000741520_100000210624 [1,0,0,1,0,0|1,0,1]=4 2546 B12R1.252 CC(C)CSCC1CCCOC1 62a_100000210624_100000741521 [1,0,0,1,0,0|1,0,1]=4 2547 B12R1.252 CC(C)CSCC1CCCOC1 62a_100000741521_100000210760 [1,0,0,1,0,0|1,0,1]=4 2548 B12R1.332 C=CCCN1CC(C1)CC(C)C 2230a_214813039686_100000754431 [1,0,0,1,0,0|2,0,0]=4 2549 B12R1.332 C=CCCN1CC(C1)CC(C)C 269982a_214813039686_100000754431 [1,0,0,1,0,0|2,0,0]=4 2550 B12R1.332 C=CCCN1CC(C1)CC(C)C 34a_214813039686_100000754431 [1,0,0,1,0,0|2,0,0]=4 2551 B12R1.332 CC(C)CC1CN(C1)CCCO 2230a_214813039686_100000230001 [1,0,0,1,0,0|1,0,1]=4 2552 B12R1.332 CC(C)CC1CN(C1)CCCO 269982a_214813039686_100011215043 [1,0,0,1,0,0|1,0,1]=4 2553 B12R1.332 CC(C)CC1CN(C1)CCCO 34a_214813039686_100000230001 [1,0,0,1,0,0|1,0,1]=4 2554 B12R1.337 CC(C)N1CCC(C1)NCC=O 2230a_100000746141_200015260668 [1,0,0,1,0,0|2,0,0]=4 2555 B12R1.348 C=CCCN1CCCC(CC1)C 2230a_100025706717_100000754431 [1,0,0,1,0,0|2,0,0]=4 2556 B12R1.348 C=CCCN1CCCC(CC1)C 269982a_100025706717_100000754431 [1,0,0,1,0,0|2,0,0]=4 2557 B12R1.348 C=CCCN1CCCC(CC1)C 34a_100025706717_100000754431 [1,0,0,1,0,0|2,0,0]=4 2558 B12R1.348 CC1CCCN(CC1)CCCO 2230a_100025706717_100000230001 [1,0,0,1,0,0|1,0,1]=4 2559 B12R1.348 CC1CCCN(CC1)CCCO 269982a_100025706717_100011215043 [1,0,0,1,0,0|1,0,1]=4 2560 B12R1.348 CC1CCCN(CC1)CCCO 34a_100025706717_100000230001 [1,0,0,1,0,0|1,0,1]=4 2561 B12R1.430 CC(C)CCCN1CC(C1)CO 269982a_100016987283_100011214892 [1,0,0,1,0,0|1,0,1]=4 2562 B12R1.430 CC(C)CCCN1CC(C1)CO 34a_100016987283_100011214892 [1,0,0,1,0,0|1,0,1]=4 2563 B12R1.430 CC(C)CCNC1CC(C1)CO 269862a_100000095622_100000185833 [1,0,0,1,0,0|1,0,1]=4 2564 B12R1.430 CC(C)CCNC1CC(C1)CO 270004a_100000210545_100000101936 [1,0,0,1,0,0|1,0,1]=4 2565 B12R1.430 CC(C)CCSC1CC(C1)CO 62a_100000210312_100009874164 [1,0,0,1,0,0|1,0,1]=4 2566 B12R1.430 CC(C)CCSC1CC(C1)CO 62a_100009874164_100000210312 [1,0,0,1,0,0|1,0,1]=4 2567 B12R1.464 C=CCCC(C)NCCC1CC1 270004a_100000764129_100000762624 [1,0,0,1,0,0|2,0,0]=4 2568 B12R1.464 C=CCCC(C)OCCC1CC1 34a_100000765329_100000694398 [1,0,0,1,0,0|2,0,0]=4 2569 B12R1.464 C=CCCC(C)OCCC1CC1 7a_100000765329_100000764125 [1,0,0,1,0,0|2,0,0]=4 2570 B12R1.464 C[C@H](CCCO)CNCC1CC1 2230a_100160569302_100000742324 [1,0,0,1,0,0|1,0,1]=4 2571 B12R1.464 C[C@H](CCCO)CNCC1CC1 269862a_100160569302_100000741477 [1,0,0,1,0,0|1,0,1]=4 2572 B12R1.464 C[C@H](CCCO)CNCC1CC1 34a_100160569302_100000742324 [1,0,0,1,0,0|1,0,1]=4 2573 B12R1.887 C=CCCN1CCCC(C1)(C)C 2230a_100000716857_100000754431 [1,0,0,1,0,0|2,0,0]=4 2574 B12R1.887 C=CCCN1CCCC(C1)(C)C 269982a_100000716857_100000754431 [1,0,0,1,0,0|2,0,0]=4 2575 B12R1.887 C=CCCN1CCCC(C1)(C)C 34a_100000716857_100000754431 [1,0,0,1,0,0|2,0,0]=4 2576 B12R1.887 C=CCNC1CCCC(C1)(C)C 270004a_100020586998_100000031663 [1,0,0,1,0,0|2,0,0]=4 2577 B12R1.887 C=CCOC1CCCC(C1)(C)C 7a_100011995757_100015514636 [1,0,0,1,0,0|2,0,0]=4 2578 B12R1.887 CC1(CC(CCO1)NCC=O)C 2230a_100000696200_200015260668 [1,0,0,1,0,0|2,0,0]=4 2579 B12R1.887 CC1(CC(CCO1)OCC=O)C 34a_100000693217_200009817547 [1,0,0,1,0,0|2,0,0]=4 2580 B12R1.887 CC1(CC(CCO1)OCC=O)C 7a_100000693217_200015260668 [1,0,0,1,0,0|2,0,0]=4 2581 B12R1.887 CC1(CC(CCO1)SCC=O)C 62a_100010191092_200015260668 [1,0,0,1,0,0|2,0,0]=4 2582 B12R1.887 CC1(CC(CCO1)SCC=O)C 62a_200015260668_100010191092 [1,0,0,1,0,0|2,0,0]=4 2583 B12R1.887 CC1(CCCC(C1)NCCO)C 270004a_100000210304_100000031663 [1,0,0,1,0,0|1,0,1]=4 2584 B12R1.887 CC1(CCCC(C1)OCC=O)C 7a_100011995757_200015260668 [1,0,0,1,0,0|1,0,0]=3 2585 B12R1.887 CC1(CCCC(C1)OCCO)C 7a_100011995757_100000211926 [1,0,0,1,0,0|1,0,1]=4 2586 B12R1.887 CC1(CCCN(C1)CCCO)C 2230a_100000716857_100000230001 [1,0,0,1,0,0|1,0,1]=4 2587 B12R1.887 CC1(CCCN(C1)CCCO)C 269982a_100000716857_100011215043 [1,0,0,1,0,0|1,0,1]=4 2588 B12R1.887 CC1(CCCN(C1)CCCO)C 34a_100000716857_100000230001 [1,0,0,1,0,0|1,0,1]=4 2589 B12R1.103 CC1CCC(C1)N(C)CC(=O)N 270004a_100000739694_100011215218 [0,0,0,1,1,0|2,0,0]=4 2590 B12R1.103 CN1CCC(C1)N(C)CC(=O)O 269956a_100000746989_200012183744 [0,0,0,1,1,0|2,0,0]=4 2591 B12R1.389 CC(=O)CC1CCN(C1)C(C)C 1458a_100000070787_100015187125 [0,0,0,1,1,0|2,0,0]=4 2592 B12R1.389 CC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000210206 [0,0,0,1,1,0|1,0,0]=3 2593 B12R1.1020 CC1CCCN(CC1)CC(=O)N 2230a_100025706717_100000747473 [0,0,0,1,1,0|2,0,0]=4 2594 B12R1.1020 CC1CCCN(CC1)CC(=O)N 269982a_100025706717_100000187820 [0,0,0,1,1,0|2,0,0]=4 2595 B12R1.1020 CC1CCCN(CC1)CC(=O)N 34a_100025706717_100000187820 [0,0,0,1,1,0|2,0,0]=4 2596 B12R1.1020 CC1CCCN(CC1)CC(=O)[O-] 269982a_100025706717_100020667443 [0,0,0,1,1,0|1,0,1]=4 2597 B12R1.1020 CC1CCCN(CC1)CC(=O)[O-] 34a_100025706717_100020667443 [0,0,0,1,1,0|1,0,1]=4 2598 B12R1.1377 CN(CCCC1CO1)CC(=O)O 269956a_100000746989_100000733510 [0,0,0,1,1,0|2,0,0]=4 2599 B12R1.1377 O=C(O)CC(O)CNCC1CC1 269956a_100011218706_100000742324 [0,0,0,1,1,0|2,0,0]=4 2600 B12R1.1394 CC(C)CC1CN(C1)CC(=O)N 2230a_214813039686_100000747473 [0,0,0,1,1,0|2,0,0]=4 2601 B12R1.1394 CC(C)CC1CN(C1)CC(=O)N 269982a_214813039686_100000187820 [0,0,0,1,1,0|2,0,0]=4 2602 B12R1.1394 CC(C)CC1CN(C1)CC(=O)N 34a_214813039686_100000187820 [0,0,0,1,1,0|2,0,0]=4 2603 B12R1.1394 CC(C)CC1CN(C1)CC(=O)[O-] 269982a_214813039686_100020667443 [0,0,0,1,1,0|1,0,1]=4 2604 B12R1.1394 CC(C)CC1CN(C1)CC(=O)[O-] 34a_214813039686_100020667443 [0,0,0,1,1,0|1,0,1]=4 2605 B12R1.1394 CC(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100000210760 [0,0,0,1,1,0|1,0,0]=3 2606 B12R1.1394 CC(O)CN1CC(C1)CC(=O)O 269956a_100016993960_100011218427 [0,0,0,1,1,0|2,0,0]=4 2607 B12R1.1394 C[C@@H](O)CN1CC(C1)CC(=O)O 269956a_100016993960_100009817552 [0,0,0,1,1,0|2,0,0]=4 2608 B12R1.1821 CC1(CCCN(C1)CC(=O)N)C 2230a_100000716857_100000747473 [0,0,0,1,1,0|2,0,0]=4 2609 B12R1.1821 CC1(CCCN(C1)CC(=O)N)C 269982a_100000716857_100000187820 [0,0,0,1,1,0|2,0,0]=4 2610 B12R1.1821 CC1(CCCN(C1)CC(=O)N)C 34a_100000716857_100000187820 [0,0,0,1,1,0|2,0,0]=4 2611 B12R1.1821 CC1(CCCN(C1)CC(=O)[O-])C 269982a_100000716857_100020667443 [0,0,0,1,1,0|1,0,1]=4 2612 B12R1.1821 CC1(CCCN(C1)CC(=O)[O-])C 34a_100000716857_100020667443 [0,0,0,1,1,0|1,0,1]=4 2613 B12R1.21 CC(=O)CCN1CCC(CC1)C 1458a_100000740328_200000210301 [0,0,0,1,1,0|2,0,0]=4 2614 B12R1.21 CC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000053229 [0,0,0,1,1,0|2,0,0]=4 2615 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [0,0,0,1,1,0|2,0,0]=4 2616 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [0,0,0,1,1,0|2,0,0]=4 2617 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [0,0,0,1,1,0|2,0,0]=4 2618 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [0,0,0,1,1,0|2,0,0]=4 2619 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [0,0,0,1,1,0|2,0,0]=4 2620 B12R1.21 CC(C)CNC1CCC(=O)NC1 2230a_100000748762_100000210760 [0,0,0,1,1,0|2,0,0]=4 2621 B12R1.21 CC(C)CNC1CCC(=O)NC1 270004a_100000748762_100000210432 [0,0,0,1,1,0|2,0,0]=4 2622 B12R1.21 CC(C)CNC1CCC(=O)NC1 34a_100000748762_100000210624 [0,0,0,1,1,0|2,0,0]=4 2623 B12R1.21 CC(C)COC1CCC(=O)CC1 34a_100000764474_100000210624 [0,0,0,1,1,0|2,0,0]=4 2624 B12R1.21 CC(C)COC1CCC(=O)CC1 7a_100000764474_100000210760 [0,0,0,1,1,0|2,0,0]=4 2625 B12R1.21 CC(C)COC1CCC(=O)NC1 34a_100000079199_100000210624 [0,0,0,1,1,0|2,0,0]=4 2626 B12R1.21 CC(C)OCC1CCC(=O)CC1 34a_100000062911_100000210206 [0,0,0,1,1,0|2,0,0]=4 2627 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [0,0,0,1,1,0|1,0,0]=3 2628 B12R1.21 CC1CCC(CC1)OCC(=O)N 34a_100000210714_100000187820 [0,0,0,1,1,0|2,0,0]=4 2629 B12R1.21 CC1CCC(CC1)OCC(=O)N 7a_100000210714_100000187820 [0,0,0,1,1,0|2,0,0]=4 2630 B12R1.21 CC1CCC(CC1)OCC(=O)[O-] 34a_100000210714_100020667443 [0,0,0,1,1,0|1,0,1]=4 2631 B12R1.21 CC1CCC(CC1)SCC(=O)N 62a_100000747473_200011216234 [0,0,0,1,1,0|2,0,0]=4 2632 B12R1.21 CC1CCC(CC1)SCC(=O)[O-] 62a_100020667443_200011216234 [0,0,0,1,1,0|1,0,1]=4 2633 B12R1.21 CC1CCN(CC1)CCC(=O)N 2230a_100000188429_100000744528 [0,0,0,1,1,0|2,0,0]=4 2634 B12R1.21 CC1CCN(CC1)CCC(=O)N 269982a_100000188429_100000744528 [0,0,0,1,1,0|2,0,0]=4 2635 B12R1.21 CC1CCN(CC1)CCC(=O)N 34a_100000188429_100000731001 [0,0,0,1,1,0|2,0,0]=4 2636 B12R1.21 CC1CCN(CC1)CCC(=O)[13CH3] 1458a_100000740328_200025704644 [0,0,0,1,1,0|2,0,0]=4 2637 B12R1.21 CN1CCC(CC1)CCC(=O)N 2230a_100015183425_200000210301 [0,0,0,1,1,0|2,0,0]=4 2638 B12R1.21 CN1CCC(CC1)CCC(=O)N 34a_100015183425_200000210301 [0,0,0,1,1,0|2,0,0]=4 2639 B12R1.21 CN1CCC(CC1)NCC(=O)O 269956a_100016091260_100011215917 [0,0,0,1,1,0|2,0,0]=4 2640 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [0,0,0,1,1,0|2,0,0]=4 2641 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [0,0,0,1,1,0|2,0,0]=4 2642 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [0,0,0,1,1,0|1,0,1]=4 2643 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 2230a_100015183425_200025704644 [0,0,0,1,1,0|2,0,0]=4 2644 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 34a_100015183425_200025704644 [0,0,0,1,1,0|2,0,0]=4 2645 B12R1.221 CC(C)CCN(C)C1CC(=O)C1 269982a_100000742789_100009894365 [0,0,0,1,1,0|2,0,0]=4 2646 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210206 [0,0,0,1,1,0|2,0,0]=4 2647 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210206 [0,0,0,1,1,0|2,0,0]=4 2648 B12R1.1344 CC(C)CCN1CC(C1)C(=O)N 34a_100025753142_100000210312 [0,0,0,1,1,0|2,0,0]=4 2649 B12R1.1344 CC(C)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210760 [0,0,0,1,1,0|1,0,0]=3 2650 B12R1.1344 CC(O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011218427 [0,0,0,1,1,0|2,0,0]=4 2651 B12R1.1344 C[C@@H](O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100009817552 [0,0,0,1,1,0|2,0,0]=4 2652 B12R1.1806 CC(=O)CCN1CCC(C1)(C)C 269982a_100000764714_100000053229 [0,0,0,1,1,0|2,0,0]=4 2653 B12R1.1806 CC1(CCN(C1)CCC(=O)N)C 2230a_100000764714_100000744528 [0,0,0,1,1,0|2,0,0]=4 2654 B12R1.1806 CC1(CCN(C1)CCC(=O)N)C 269982a_100000764714_100000744528 [0,0,0,1,1,0|2,0,0]=4 2655 B12R1.3805 CC1CCC(N1CC(=O)N)(C)C 2230a_100015204717_100000747473 [0,0,0,1,1,0|2,0,0]=4 2656 B12R1.3805 CC1CCC(N1CC(=O)N)(C)C 269982a_100015204717_100000187820 [0,0,0,1,1,0|2,0,0]=4 2657 B12R1.3805 CC1CCC(N1CC(=O)N)(C)C 34a_100015204717_100000187820 [0,0,0,1,1,0|2,0,0]=4 2658 B12R1.3805 CC1CCC(N1CC(=O)[O-])(C)C 269982a_100015204717_100020667443 [0,0,0,1,1,0|1,0,1]=4 2659 B12R1.3805 CC1CCC(N1CC(=O)[O-])(C)C 34a_100015204717_100020667443 [0,0,0,1,1,0|1,0,1]=4 2660 B14R1.129 CC(=O)SCC(C)CN1CC[C@H](C1)C 2230a_100016987628_200000116872 [0,0,0,1,0,1|2,0,0]=4 2661 B14R1.129 CC(=O)SCC(C)CN1CC[C@H](C1)C 269982a_100016987628_200000116872 [0,0,0,1,0,1|2,0,0]=4 2662 B14R1.129 CC(=O)SCC(C)CN1CC[C@H](C1)C 34a_100016987628_200000116872 [0,0,0,1,0,1|2,0,0]=4 2663 B14R1.149 C=C(C)CCC(C)N1CCC[C@@H](C1)C 270004a_100000717927_100011215600 [0,0,0,1,0,1|2,0,0]=4 2664 B14R1.149 CC(=O)OCC(C)N1CCC[C@@H](C1)C 270004a_100000717927_100000000629 [0,0,0,1,0,1|2,0,0]=4 2665 B14R1.149 CC1CC(CCO1)N(C)CCC(=O)N 270004a_100000730477_100000755752 [0,0,0,1,0,1|2,0,0]=4 2666 B14R1.149 CC1CCCC(C1)N(C)CCC(=O)N 270004a_100000730477_100000183594 [0,0,0,1,0,1|2,0,0]=4 2667 B14R1.149 C[C@@H]1CC(CCN1)N(C)CCC(=O)N 270004a_100000730477_100016994030 [0,0,0,1,0,1|2,0,0]=4 2668 B14R1.335 CC(=O)SCC(C)COCC1CC1C 34a_100000744939_200000116872 [0,0,0,1,0,1|2,0,0]=4 2669 B14R1.335 CC(=O)SCC(C)COCC1CC1C 7a_100000744939_200000116872 [0,0,0,1,0,1|2,0,0]=4 2670 B14R1.677 C=C1CCC(CC1)COCCC(C)C 34a_100000074039_100000210312 [0,0,0,1,0,1|2,0,0]=4 2671 B14R1.677 C=C1CCC(CC1)NCCCC(C)C 270004a_200000737386_100010272673 [0,0,0,1,0,1|2,0,0]=4 2672 B14R1.677 CC(C)CCCNC1CCC(=O)NC1 2230a_100000748762_100011214892 [0,0,0,1,0,1|1,0,0]=3 2673 B14R1.677 CC(C)CCCNC1CCC(=O)NC1 34a_100000748762_100011214892 [0,0,0,1,0,1|1,0,0]=3 2674 B14R1.677 CC(C)CCCNC1CCC(CC1)O 270004a_200000737386_100000764474 [0,0,0,1,0,1|1,0,1]=4 2675 B14R1.677 CC(C)CCCOC1CCC(=O)CC1 34a_100000764474_100011214892 [0,0,0,1,0,1|1,0,0]=3 2676 B14R1.677 CC(C)CCCOC1CCC(=O)CC1 7a_100000764474_100011214892 [0,0,0,1,0,1|1,0,0]=3 2677 B14R1.677 CC(C)CCCOC1CCC(=O)NC1 34a_100000079199_100011214892 [0,0,0,1,0,1|1,0,0]=3 2678 B14R1.677 CC(C)CCCOC1CNC(=O)NC1 34a_100000080929_100011214892 [0,0,0,1,0,1|2,0,0]=4 2679 B14R1.677 CC(C)CCOCC1CCC(=O)CC1 34a_100000062911_100000210312 [0,0,0,1,0,1|1,0,0]=3 2680 B14R1.677 CC(C)CNCCC1CCC(CC1)O 270004a_200011935226_100000210432 [0,0,0,1,0,1|1,0,1]=4 2681 B14R1.677 CC(C)CNCCC1CCC(CC1)O 34a_200011935226_100000210624 [0,0,0,1,0,1|1,0,1]=4 2682 B14R1.677 CC(C)OCCNC1CCC(=O)NC1 2230a_100000748762_100000211751 [0,0,0,1,0,1|2,0,0]=4 2683 B14R1.677 CC(C)OCCNC1CCC(=O)NC1 34a_100000748762_100000211751 [0,0,0,1,0,1|2,0,0]=4 2684 B14R1.677 CC(C)OCCOC1CCC(=O)CC1 34a_100000764474_100000211751 [0,0,0,1,0,1|2,0,0]=4 2685 B14R1.677 CC(C)OCCOC1CCC(=O)CC1 7a_100000764474_100000211751 [0,0,0,1,0,1|2,0,0]=4 2686 B14R1.677 CC(C)OCCOC1CCC(=O)NC1 34a_100000079199_100000211751 [0,0,0,1,0,1|2,0,0]=4 2687 B14R1.677 CC(C)OCOCC1CCC(=O)CC1 34a_100000062911_100000709892 [0,0,0,1,0,1|2,0,0]=4 2688 B14R1.677 CC(C)SCCNC1CCC(=O)NC1 2230a_100000748762_100000730970 [0,0,0,1,0,1|2,0,0]=4 2689 B14R1.677 CC(C)SCCNC1CCC(=O)NC1 34a_100000748762_100000730970 [0,0,0,1,0,1|2,0,0]=4 2690 B14R1.677 CC(C)SCCOC1CCC(=O)CC1 34a_100000764474_100000730970 [0,0,0,1,0,1|2,0,0]=4 2691 B14R1.677 CC(C)SCCOC1CCC(=O)CC1 7a_100000764474_100000730970 [0,0,0,1,0,1|2,0,0]=4 2692 B14R1.677 CC(C)SCCOC1CCC(=O)NC1 34a_100000079199_100000730970 [0,0,0,1,0,1|2,0,0]=4 2693 B14R1.677 CC(O)CCCNC1CCC(=O)NC1 2230a_100000748762_200000718107 [0,0,0,1,0,1|2,0,0]=4 2694 B14R1.677 CC(O)CCCNC1CCC(=O)NC1 34a_100000748762_200000718107 [0,0,0,1,0,1|2,0,0]=4 2695 B14R1.677 CC(O)CCCOC1CCC(=O)CC1 34a_100000764474_200000718107 [0,0,0,1,0,1|2,0,0]=4 2696 B14R1.677 CC(O)CCCOC1CCC(=O)CC1 7a_100000764474_200000718107 [0,0,0,1,0,1|2,0,0]=4 2697 B14R1.677 CC(O)CCCOC1CCC(=O)NC1 34a_100000079199_200000718107 [0,0,0,1,0,1|2,0,0]=4 2698 B14R1.677 CC(O)CCOCC1CCC(=O)CC1 34a_100000062911_100012276601 [0,0,0,1,0,1|2,0,0]=4 2699 B14R1.677 CN(C)CCCOC1CCC(=O)CC1 7a_100000764474_100000757444 [0,0,0,1,0,1|2,0,0]=4 2700 B14R1.1449 CC(=O)NCC1CCN(C1)CC(C)C 11a_100000687041_100015343762 [0,0,0,1,0,1|2,0,0]=4 2701 B14R1.1449 CC(=O)NCC1CCN(C1)CC(C)C 1626a_100000687041_100015343762 [0,0,0,1,0,1|2,0,0]=4 2702 B14R1.1449 CC(=O)NCC1CCN(C1)CC(C)C 240690a_100000687041_100015343762 [0,0,0,1,0,1|2,0,0]=4 2703 B14R1.1449 CC(=O)NCC1CCN(C1)CC(C)C 527a_100000687041_100103153847 [0,0,0,1,0,1|2,0,0]=4 2704 B14R1.1449 CC(=O)OCC1CCN(C1)CC(C)C 2230a_100000118262_100000210760 [0,0,0,1,0,1|2,0,0]=4 2705 B14R1.1449 CC(=O)OCC1CCN(C1)CC(C)C 269982a_100000118262_100000210624 [0,0,0,1,0,1|2,0,0]=4 2706 B14R1.1449 CC(=O)OCC1CCN(C1)CC(C)C 270004a_100000118262_100000210432 [0,0,0,1,0,1|2,0,0]=4 2707 B14R1.3345 CC(=O)SCC(C)CNCCC1CC1 34a_100000764129_200000116872 [0,0,0,1,0,1|2,0,0]=4 2708 B14R1.3345 CC(=O)SCC(C)COCCC1CC1 34a_100000754188_200000116872 [0,0,0,1,0,1|2,0,0]=4 2709 B14R1.3345 CC(=O)SCC(C)COCCC1CC1 7a_100000754188_200000116872 [0,0,0,1,0,1|2,0,0]=4 2710 B14R1.3345 CC(=O)SCC(C)CSCCC1CC1 62a_100000764125_200000116872 [0,0,0,1,0,1|2,0,0]=4 2711 B14R1.3345 CC(=O)SCC(C)CSCCC1CC1 62a_200000116872_100000764125 [0,0,0,1,0,1|2,0,0]=4 2712 B14R1.3347 C=C(C)CCC(C)N1CCCC1(C)C 270004a_100000761399_100011215600 [0,0,0,1,0,1|2,0,0]=4 2713 B14R1.3347 CC(=O)OCC(C)N1CCCC1(C)C 270004a_100000761399_100000000629 [0,0,0,1,0,1|2,0,0]=4 2714 B14R1.4349 CC(C)CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210312 [0,0,0,1,0,1|2,0,0]=4 2715 B14R1.4349 CC(C)CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210312 [0,0,0,1,0,1|2,0,0]=4 2716 B14R1.4349 CC(C)CCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210312 [0,0,0,1,0,1|2,0,0]=4 2717 B14R1.4349 CC(C)CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000210312 [0,0,0,1,0,1|2,0,0]=4 2718 B14R1.4349 CC(C)CCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210312 [0,0,0,1,0,1|2,0,0]=4 2719 B14R1.4349 CC(C)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210312 [0,0,0,1,0,1|1,0,0]=3 2720 B14R1.4349 CC(C)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210312 [0,0,0,1,0,1|1,0,0]=3 2721 B14R1.4349 CC(C)OCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000709892 [0,0,0,1,0,1|2,0,0]=4 2722 B14R1.4349 CC(C)OCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000709892 [0,0,0,1,0,1|2,0,0]=4 2723 B14R1.4349 CC(O)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100012276601 [0,0,0,1,0,1|2,0,0]=4 2724 B14R1.4349 CC(O)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100012276601 [0,0,0,1,0,1|2,0,0]=4 2725 B14R1.4349 CN(C)CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000755713 [0,0,0,1,0,1|2,0,0]=4 2726 B14R1.4349 CN(C)CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000755713 [0,0,0,1,0,1|2,0,0]=4 2727 B14R1.6074 C=C(C)CN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000748629 [0,0,0,1,0,1|0,0,2]=4 2728 B14R1.6074 CC(C)CN1CCN(CC1C(=O)O)C 269956a_100020626280_100000210760 [0,0,0,1,0,1|1,0,0]=3 2729 B14R1.6074 CC(C)CN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210760 [0,0,0,1,0,1|0,0,0]=2 2730 B14R1.6074 CC(O)CN1CCN(CC1C(=O)O)C 269956a_100020626280_100011218427 [0,0,0,1,0,1|2,0,0]=4 2731 B14R1.6074 CC(O)CN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100011218427 [0,0,0,1,0,1|1,0,0]=3 2732 B14R1.6074 C[C@@H](O)CN1CCN(CC1C(=O)O)C 269956a_100020626280_100009817552 [0,0,0,1,0,1|2,0,0]=4 2733 B14R1.6074 C[C@@H]1CCN([C@H](C1)C(=O)O)CC(F)F 269956a_100009817619_100011934356 [0,0,0,1,0,1|2,0,0]=4 2734 B14R1.6074 C[C@@H]1CCN([C@H](C1)C(=O)O)C[C@@H](C)O 269956a_100009817619_100009817552 [0,0,0,1,0,1|1,0,0]=3 2735 B14R1.6346 CC(=CCCN[C@H]1C[C@H](C1)C(=O)O)C 269956a_100000738708_100011217483 [0,0,0,1,0,1|0,0,2]=4 2736 B14R1.6346 CC(=O)CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011215641 [0,0,0,1,0,1|1,0,1]=4 2737 B14R1.6346 CC(=O)N1CC(C1)NCCCC(C)C 2230a_100102955437_100011214892 [0,0,0,1,0,1|2,0,0]=4 2738 B14R1.6346 CC(C)CCCCN1CC(C1)C(=O)N 34a_100025753142_100011216152 [0,0,0,1,0,1|2,0,0]=4 2739 B14R1.6346 CC(C)CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100011214892 [0,0,0,1,0,1|0,0,0]=2 2740 B14R1.6346 CC(C)OCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000211751 [0,0,0,1,0,1|1,0,0]=3 2741 B14R1.6346 CC(C)SCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000730970 [0,0,0,1,0,1|1,0,0]=3 2742 B14R1.6346 CC(O)CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000718107 [0,0,0,1,0,1|1,0,0]=3 2743 B14R1.6346 CN(C)CCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000757444 [0,0,0,1,0,1|1,0,0]=3 2744 B14R1.6347 CC(C)CCCNC1CCS(=O)(=O)C1 2230a_100000683523_100011214892 [0,0,0,1,0,1|1,0,1]=4 2745 B14R1.6347 CC(C)CCCNC1CCS(=O)(=O)C1 34a_100000683523_100011214892 [0,0,0,1,0,1|1,0,1]=4 2746 B14R1.6347 CC(C)CCCOC1CCS(=O)(=O)C1 34a_100000186101_100011214892 [0,0,0,1,0,1|1,0,1]=4 2747 B14R1.6347 CC(C)CCCOC1CCS(=O)(=O)C1 7a_100000186101_100011214892 [0,0,0,1,0,1|1,0,1]=4 2748 B14R1.6347 CC(C)CCNCC1CCS(=O)(=O)C1 2230a_100000737051_100000210312 [0,0,0,1,0,1|1,0,1]=4 2749 B14R1.6347 CC(C)CCNCC1CCS(=O)(=O)C1 269862a_100000737051_100000185833 [0,0,0,1,0,1|1,0,1]=4 2750 B14R1.6347 CC(C)CCNCC1CCS(=O)(=O)C1 34a_100000737051_100000210312 [0,0,0,1,0,1|1,0,1]=4 2751 B14R1.6355 CC(=O)CCN1CCOC(C1)C(C)C 269982a_100000697742_100000053229 [0,0,0,1,0,1|2,0,0]=4 2752 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 11a_100000747264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2753 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 1626a_100000747264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2754 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 2230a_100011207013_100000210206 [0,0,0,1,0,1|2,0,0]=4 2755 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 240690a_100000747264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2756 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 269982a_100011207013_100000210206 [0,0,0,1,0,1|2,0,0]=4 2757 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 34a_100011207013_100000210206 [0,0,0,1,0,1|2,0,0]=4 2758 B14R1.6355 CC(=O)NCC1CCCN(C1)C(C)C 527a_100000747264_100103153847 [0,0,0,1,0,1|2,0,0]=4 2759 B14R1.6355 CC(=O)OCC1CCCN(C1)C(C)C 2230a_100025751563_100000210206 [0,0,0,1,0,1|2,0,0]=4 2760 B14R1.6355 CC(=O)OCC1CCCN(C1)C(C)C 269982a_100025751563_100000210206 [0,0,0,1,0,1|2,0,0]=4 2761 B14R1.6355 CC(C)C1CCNC(C1)OCC(=O)N 34a_100016151081_100000187820 [0,0,0,1,0,1|2,0,0]=4 2762 B14R1.6355 CC(C)C1CCNC(C1)OCC(=O)[O-] 34a_100016151081_100020667443 [0,0,0,1,0,1|1,0,1]=4 2763 B14R1.6355 CC(C)C1CN(CCO1)CCC(=O)N 2230a_100000697742_100000744528 [0,0,0,1,0,1|2,0,0]=4 2764 B14R1.6355 CC(C)C1CN(CCO1)CCC(=O)N 269982a_100000697742_100000744528 [0,0,0,1,0,1|2,0,0]=4 2765 B14R1.6355 CC(C)C1CN(CCO1)CCC(=O)N 34a_100000697742_100000731001 [0,0,0,1,0,1|2,0,0]=4 2766 B14R1.6355 CC(C)N1CCCC(C1)CCC(=O)N 2230a_100011533967_100000210206 [0,0,0,1,0,1|1,0,0]=3 2767 B14R1.6355 CC(C)N1CCCC(C1)CCC(=O)N 269982a_100011533967_100000210206 [0,0,0,1,0,1|1,0,0]=3 2768 B14R1.6355 CC(C)N1CCCC(C1)CCC(=O)N 34a_100011533967_100000210206 [0,0,0,1,0,1|1,0,0]=3 2769 B14R1.6355 CC(C)N1CCCC(C1)OCC(=O)N 7a_100000209440_100000187820 [0,0,0,1,0,1|2,0,0]=4 2770 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_100025773825_100015343762 [0,0,0,1,0,1|1,0,0]=3 2771 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100025773825_100015343762 [0,0,0,1,0,1|1,0,0]=3 2772 B14R1.164 CC(=O)N[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100025773825_100015343762 [0,0,0,1,0,1|1,0,0]=3 2773 B14R1.164 CC(C)CN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210760 [0,0,0,1,0,1|2,0,0]=4 2774 B14R1.1456 CC(=O)CCCN1CC(C1)CC(C)C 269982a_214813039686_100011215641 [0,0,0,1,0,1|2,0,0]=4 2775 B14R1.1456 CC(=O)CCCN1CC(C1)CC(C)C 34a_214813039686_100000685027 [0,0,0,1,0,1|2,0,0]=4 2776 B14R1.1456 CC(=O)NCCN1CC(C1)CC(C)C 2230a_214813039686_100000189650 [0,0,0,1,0,1|2,0,0]=4 2777 B14R1.1456 CC(=O)NCCN1CC(C1)CC(C)C 269982a_214813039686_100000189650 [0,0,0,1,0,1|2,0,0]=4 2778 B14R1.1456 CC(=O)OC1CN(C1)CCCC(C)C 269982a_100016994906_100011214892 [0,0,0,1,0,1|2,0,0]=4 2779 B14R1.1456 CC(=O)OCCN1CC(C1)CC(C)C 269982a_214813039686_100009814007 [0,0,0,1,0,1|2,0,0]=4 2780 B14R1.1456 CC(=O)OCCN1CC(C1)CC(C)C 34a_214813039686_100009814007 [0,0,0,1,0,1|2,0,0]=4 2781 B14R1.1456 CC(C)CC1CN(C1)CCCC(=O)N 269982a_214813039686_100102525003 [0,0,0,1,0,1|2,0,0]=4 2782 B14R1.1456 CC(C)CC1CN(C1)CCCC(=O)N 34a_214813039686_100102525003 [0,0,0,1,0,1|2,0,0]=4 2783 B14R1.1456 CC(C)CC1CN(C1)CCNC(=O)N 2230a_214813039686_200000034859 [0,0,0,1,0,1|2,0,0]=4 2784 B14R1.1456 CC(C)CC1CN(C1)CCNC(=O)N 269982a_214813039686_200000034859 [0,0,0,1,0,1|2,0,0]=4 2785 B14R1.1456 CC(C)CC1CN(C1)CCOC(=O)N 269982a_214813039686_200011214921 [0,0,0,1,0,1|2,0,0]=4 2786 B14R1.1456 CC(C)CC1CN(C1)CCOC(=O)N 34a_214813039686_200011214921 [0,0,0,1,0,1|2,0,0]=4 2787 B14R1.1456 CC(C)CCCN1CC(C1)CC(=O)O 269956a_100016993960_100011214892 [0,0,0,1,0,1|1,0,0]=3 2788 B14R1.1456 CC(C)OCCN1CC(C1)CC(=O)O 269956a_100016993960_100000211751 [0,0,0,1,0,1|2,0,0]=4 2789 B14R1.1456 CC(C)SCCN1CC(C1)CC(=O)O 269956a_100016993960_100000730970 [0,0,0,1,0,1|2,0,0]=4 2790 B14R1.1456 CC(O)CCCN1CC(C1)CC(=O)O 269956a_100016993960_200000718107 [0,0,0,1,0,1|2,0,0]=4 2791 B14R1.1456 CN(C)CCCN1CC(C1)CC(=O)O 269956a_100016993960_100000757444 [0,0,0,1,0,1|2,0,0]=4 2792 B14R1.1470 CC(C)CCCC(C)NCCC1CO1 2230a_100000210607_100000732470 [0,0,0,1,0,1|1,0,1]=4 2793 B14R1.1470 CC(C)CCCC(C)OCCC1CO1 34a_200011218570_100000732470 [0,0,0,1,0,1|1,0,1]=4 2794 B14R1.1470 CC(C)CCCC(C)OCCC1CO1 7a_200011218570_100000732470 [0,0,0,1,0,1|1,0,1]=4 2795 B14R1.1470 CC(CCCC(=O)[O-])OCCC1CC1 7a_100000761597_100000764125 [0,0,0,1,0,1|1,0,1]=4 2796 B14R1.1470 CN(CCCC(=O)O)CCCC1CO1 269956a_100000719178_100000733510 [0,0,0,1,0,1|2,0,0]=4 2797 B14R1.4268 CC(C)CCCC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_100011214892 [0,0,0,1,0,1|1,0,1]=4 2798 B14R1.4268 CC(C)CCCC(C)N1CCC(C1)O 270004a_100011215560_100000753411 [0,0,0,1,0,1|1,0,1]=4 2799 B14R1.4268 CN1CCC(C1)N(C)CCCC(=O)O 269956a_100000719178_200012183744 [0,0,0,1,0,1|2,0,0]=4 2800 B14R1.4917 CC(=O)CCCN1CCCC(CC1)C 269982a_100025706717_100011215641 [0,0,0,1,0,1|2,0,0]=4 2801 B14R1.4917 CC(=O)CCCN1CCCC(CC1)C 34a_100025706717_100000685027 [0,0,0,1,0,1|2,0,0]=4 2802 B14R1.4917 CC(=O)NCCN1CCCC(CC1)C 2230a_100025706717_100000189650 [0,0,0,1,0,1|2,0,0]=4 2803 B14R1.4917 CC(=O)NCCN1CCCC(CC1)C 269982a_100025706717_100000189650 [0,0,0,1,0,1|2,0,0]=4 2804 B14R1.4917 CC(=O)OCCN1CCCC(CC1)C 269982a_100025706717_100009814007 [0,0,0,1,0,1|2,0,0]=4 2805 B14R1.4917 CC(=O)OCCN1CCCC(CC1)C 34a_100025706717_100009814007 [0,0,0,1,0,1|2,0,0]=4 2806 B14R1.4917 CC(C)CCCN1CCNC(=O)CC1 2230a_100000698595_100011214892 [0,0,0,1,0,1|2,0,0]=4 2807 B14R1.4917 CC(C)CCCN1CCNC(=O)CC1 269982a_100000698595_100011214892 [0,0,0,1,0,1|2,0,0]=4 2808 B14R1.4917 CC1CCCN(CC1)CCCC(=O)N 269982a_100025706717_100102525003 [0,0,0,1,0,1|2,0,0]=4 2809 B14R1.4917 CC1CCCN(CC1)CCCC(=O)N 34a_100025706717_100102525003 [0,0,0,1,0,1|2,0,0]=4 2810 B14R1.4917 CC1CCCN(CC1)CCNC(=O)N 2230a_100025706717_200000034859 [0,0,0,1,0,1|2,0,0]=4 2811 B14R1.4917 CC1CCCN(CC1)CCNC(=O)N 269982a_100025706717_200000034859 [0,0,0,1,0,1|2,0,0]=4 2812 B14R1.4917 CC1CCCN(CC1)CCOC(=O)N 269982a_100025706717_200011214921 [0,0,0,1,0,1|2,0,0]=4 2813 B14R1.4917 CC1CCCN(CC1)CCOC(=O)N 34a_100025706717_200011214921 [0,0,0,1,0,1|2,0,0]=4 2814 B14R1.5035 C=C1CC(C1)NC(C)CCCC(C)C 270004a_100132301982_100000753411 [0,0,0,1,0,1|2,0,0]=4 2815 B14R1.5035 CC(C)CCCC(C)N[C@H]1C[C@@H](C1)O 270004a_100020629032_100000753411 [0,0,0,1,0,1|1,0,1]=4 2816 B14R1.6314 CC(=O)COCC1CCN(C1)C(C)C 34a_100000211253_100015187125 [0,0,0,1,0,1|2,0,0]=4 2817 B14R1.6314 CC(=O)N1CCC(C1)NCCC(C)C 2230a_100000705975_100000210312 [0,0,0,1,0,1|2,0,0]=4 2818 B14R1.6314 CC(=O)N1CCC(C1)NCCC(C)C 269862a_100000705975_100000185833 [0,0,0,1,0,1|2,0,0]=4 2819 B14R1.6314 CC(=O)N1CC[C@@H](C1)OCCC(C)C 7a_100012000934_100000210626 [0,0,0,1,0,1|2,0,0]=4 2820 B14R1.6314 CC(C)CCCN1CCC(C1)C(=O)N 2230a_100000752358_100011214892 [0,0,0,1,0,1|2,0,0]=4 2821 B14R1.6314 CC(C)CCCN1CCC(C1)C(=O)N 269982a_100000752358_100011214892 [0,0,0,1,0,1|2,0,0]=4 2822 B14R1.6314 CC(C)CCCN1CCC(C1)C(=O)N 34a_100000752358_100011214892 [0,0,0,1,0,1|2,0,0]=4 2823 B14R1.6314 CC(C)CCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210312 [0,0,0,1,0,1|1,0,1]=4 2824 B14R1.6314 CC(C)CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210312 [0,0,0,1,0,1|1,0,0]=3 2825 B14R1.6314 CC(C)N1CCC(C1)CNCC(=O)N 2230a_100000711301_100015187125 [0,0,0,1,0,1|2,0,0]=4 2826 B14R1.6314 CC(C)N1CCC(C1)CNCC(=O)N 2230a_100000743801_100000747473 [0,0,0,1,0,1|2,0,0]=4 2827 B14R1.6314 CC(C)N1CCC(C1)CNCC(=O)N 34a_100000743801_100000187820 [0,0,0,1,0,1|2,0,0]=4 2828 B14R1.6314 CC(C)N1CCC(C1)CNCC(=O)O 269956a_100016091260_100015187125 [0,0,0,1,0,1|1,0,0]=3 2829 B14R1.6314 CC(C)N1CCC(C1)CNCC(=O)[O-] 34a_100000743801_100020667443 [0,0,0,1,0,1|1,0,1]=4 2830 B14R1.6314 CC(C)N1CCC(C1)COCC(=O)N 34a_200011652538_100000187820 [0,0,0,1,0,1|2,0,0]=4 2831 B14R1.6314 CC(C)N1CCC(C1)COCC(=O)N 7a_200011652538_100000187820 [0,0,0,1,0,1|2,0,0]=4 2832 B14R1.6314 CC(C)N1CCC(C1)COCC(=O)[O-] 34a_200011652538_100020667443 [0,0,0,1,0,1|1,0,1]=4 2833 B14R1.6314 CC(C)N1CCC(C1)CSCC(=O)N 62a_100000747473_100015187125 [0,0,0,1,0,1|2,0,0]=4 2834 B14R1.6314 CC(C)N1CCC(C1)CSCC(=O)N 62a_100015187125_100000747473 [0,0,0,1,0,1|2,0,0]=4 2835 B14R1.6314 CC(C)N1CCC(C1)CSCC(=O)[O-] 62a_100015187125_100020667443 [0,0,0,1,0,1|1,0,1]=4 2836 B14R1.6314 CC(C)N1CCC(C1)CSCC(=O)[O-] 62a_100020667443_100015187125 [0,0,0,1,0,1|1,0,1]=4 2837 B14R1.6314 CC(C)N1CCC(C1)NCCC(=O)N 2230a_100000746141_100000744528 [0,0,0,1,0,1|2,0,0]=4 2838 B14R1.6314 CC(C)OCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000709892 [0,0,0,1,0,1|2,0,0]=4 2839 B14R1.6314 CC(O)CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100012276601 [0,0,0,1,0,1|2,0,0]=4 2840 B14R1.6314 CN(C)CCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000755713 [0,0,0,1,0,1|2,0,0]=4 2841 B14R1.6385 C=C(C)CCOC1CCCC(C1)(C)C 7a_100011995757_100000730704 [0,0,0,1,0,1|2,0,0]=4 2842 B14R1.6385 CC(=O)CCCN1CCCC(C1)(C)C 269982a_100000716857_100011215641 [0,0,0,1,0,1|2,0,0]=4 2843 B14R1.6385 CC(=O)CCCN1CCCC(C1)(C)C 34a_100000716857_100000685027 [0,0,0,1,0,1|2,0,0]=4 2844 B14R1.6385 CC(=O)CCOC1CCCC(C1)(C)C 7a_100011995757_100000053229 [0,0,0,1,0,1|1,0,0]=3 2845 B14R1.6385 CC(=O)CCOC1CCOC(C1)(C)C 34a_100000759926_100010191092 [0,0,0,1,0,1|2,0,0]=4 2846 B14R1.6385 CC(=O)CCOC1CCOC(C1)(C)C 7a_100000693217_100000053229 [0,0,0,1,0,1|2,0,0]=4 2847 B14R1.6385 CC(=O)CCOC1CCOC(C1)(C)C 7a_100000759926_100010191092 [0,0,0,1,0,1|2,0,0]=4 2848 B14R1.6385 CC(=O)CCSC1CCOC(C1)(C)C 62a_100000053229_100010191092 [0,0,0,1,0,1|2,0,0]=4 2849 B14R1.6385 CC(=O)CCSC1CCOC(C1)(C)C 62a_100010191092_100000053229 [0,0,0,1,0,1|2,0,0]=4 2850 B14R1.6385 CC(=O)NCCN1CCCC(C1)(C)C 2230a_100000716857_100000189650 [0,0,0,1,0,1|2,0,0]=4 2851 B14R1.6385 CC(=O)NCCN1CCCC(C1)(C)C 269982a_100000716857_100000189650 [0,0,0,1,0,1|2,0,0]=4 2852 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)C 269982a_100000716857_100009814007 [0,0,0,1,0,1|2,0,0]=4 2853 B14R1.6385 CC(=O)OCCN1CCCC(C1)(C)C 34a_100000716857_100009814007 [0,0,0,1,0,1|2,0,0]=4 2854 B14R1.6385 CC(O)CCNC1CCCC(C1)(C)C 270004a_200000755665_100000031663 [0,0,0,1,0,1|1,0,1]=4 2855 B14R1.6385 CC(O)CCOC1CCCC(C1)(C)C 7a_100011995757_100012276601 [0,0,0,1,0,1|1,0,1]=4 2856 B14R1.6385 CC1(CC(CCO1)NCCC(=O)N)C 2230a_100000696200_100000744528 [0,0,0,1,0,1|2,0,0]=4 2857 B14R1.6385 CC1(CC(CCO1)NOCC(=O)O)C 269956a_100000106656_100010191092 [0,0,0,1,0,1|2,0,0]=4 2858 B14R1.6385 CC1(CC(CCO1)OCCC(=O)N)C 34a_100000693217_100000731001 [0,0,0,1,0,1|2,0,0]=4 2859 B14R1.6385 CC1(CC(CCO1)OCCC(=O)N)C 34a_100000757172_100010191092 [0,0,0,1,0,1|2,0,0]=4 2860 B14R1.6385 CC1(CC(CCO1)OCCC(=O)N)C 7a_100000693217_100000744528 [0,0,0,1,0,1|2,0,0]=4 2861 B14R1.6385 CC1(CC(CCO1)OCCC(=O)N)C 7a_100000757172_100010191092 [0,0,0,1,0,1|2,0,0]=4 2862 B14R1.6385 CC1(CC(CCO1)SCCC(=O)N)C 62a_100000744528_100010191092 [0,0,0,1,0,1|2,0,0]=4 2863 B14R1.6385 CC1(CC(CCO1)SCCC(=O)N)C 62a_100010191092_100000744528 [0,0,0,1,0,1|2,0,0]=4 2864 B14R1.6385 CC1(CCCC(C1)OCCC(=O)N)C 7a_100011995757_100000744528 [0,0,0,1,0,1|1,0,0]=3 2865 B14R1.6385 CC1(CCCN(C1)CCCC(=O)N)C 269982a_100000716857_100102525003 [0,0,0,1,0,1|2,0,0]=4 2866 B14R1.6385 CC1(CCCN(C1)CCCC(=O)N)C 34a_100000716857_100102525003 [0,0,0,1,0,1|2,0,0]=4 2867 B14R1.6385 CC1(CCCN(C1)CCNC(=O)N)C 2230a_100000716857_200000034859 [0,0,0,1,0,1|2,0,0]=4 2868 B14R1.6385 CC1(CCCN(C1)CCNC(=O)N)C 269982a_100000716857_200000034859 [0,0,0,1,0,1|2,0,0]=4 2869 B14R1.6385 CC1(CCCN(C1)CCOC(=O)N)C 269982a_100000716857_200011214921 [0,0,0,1,0,1|2,0,0]=4 2870 B14R1.6385 CC1(CCCN(C1)CCOC(=O)N)C 34a_100000716857_200011214921 [0,0,0,1,0,1|2,0,0]=4 2871 B14R1.419 CC(=O)CCN1CCC(CC1)C(C)C 269982a_100000762885_100000053229 [0,1,0,1,0,0|2,0,0]=4 2872 B14R1.419 CC(C)C1CCC(CC1)NCC(=O)N 2230a_100011734324_100000747473 [0,1,0,1,0,0|2,0,0]=4 2873 B14R1.419 CC(C)C1CCC(CC1)NCC(=O)N 34a_100011734324_100000187820 [0,1,0,1,0,0|2,0,0]=4 2874 B14R1.419 CC(C)C1CCC(CC1)NCC(=O)[O-] 34a_100011734324_100020667443 [0,1,0,1,0,0|1,0,1]=4 2875 B14R1.419 CC(C)C1CCC(CC1)OCC(=O)N 34a_100011734483_100000187820 [0,1,0,1,0,0|2,0,0]=4 2876 B14R1.419 CC(C)C1CCC(CC1)OCC(=O)N 7a_100011734483_100000187820 [0,1,0,1,0,0|2,0,0]=4 2877 B14R1.419 CC(C)C1CCC(CC1)OCC(=O)[O-] 34a_100011734483_100020667443 [0,1,0,1,0,0|1,0,1]=4 2878 B14R1.419 CC(C)C1CCN(CC1)CCC(=O)N 2230a_100000762885_100000744528 [0,1,0,1,0,0|2,0,0]=4 2879 B14R1.419 CC(C)C1CCN(CC1)CCC(=O)N 269982a_100000762885_100000744528 [0,1,0,1,0,0|2,0,0]=4 2880 B14R1.419 CC(C)C1CCN(CC1)CCC(=O)N 34a_100000762885_100000731001 [0,1,0,1,0,0|2,0,0]=4 2881 B14R1.419 CC(C)N1CCC(CC1)CCC(=O)N 2230a_100015183425_100000210206 [0,1,0,1,0,0|2,0,0]=4 2882 B14R1.419 CC(C)N1CCC(CC1)CCC(=O)N 34a_100015183425_100000210206 [0,1,0,1,0,0|2,0,0]=4 2883 B14R1.692 CC(=O)CCN1CCC(C(C1)(C)C)O 269982a_100000709803_100000053229 [0,1,0,1,0,0|2,0,0]=4 2884 B14R1.692 CC1(CN(CCC1O)CCC(=O)N)C 2230a_100000709803_100000744528 [0,1,0,1,0,0|2,0,0]=4 2885 B14R1.692 CC1(CN(CCC1O)CCC(=O)N)C 269982a_100000709803_100000744528 [0,1,0,1,0,0|2,0,0]=4 2886 B14R1.692 CC1(CN(CCC1O)CCC(=O)N)C 34a_100000709803_100000731001 [0,1,0,1,0,0|2,0,0]=4 2887 B14R1.692 CC1(C[C@H](CC[C@@H]1O)NCC(=O)N)C 2230a_206256553148_100000747473 [0,1,0,1,0,0|2,0,0]=4 2888 B14R1.10372 CC(C)CCC(C)N1CC(C1)C(=O)N 270004a_100025753142_100000210476 [0,1,0,1,0,0|2,0,0]=4 2889 B14R1.10372 CC(C)CCC(C)N1CC(C1)C(=O)N 34a_100025753142_100011261404 [0,1,0,1,0,0|2,0,0]=4 2890 B14R1.16351 CC(C)C(=O)CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000753385 [0,1,0,1,0,0|1,0,1]=4 2891 B14R1.13 CCC(C)COCC1CCC(=O)CC1 34a_100000062911_100000748023 [0,1,0,1,0,0|2,0,0]=4 2892 B14R1.13 CC[C@H](C)COCC1CCC(=O)CC1 34a_100000062911_100009816398 [0,1,0,1,0,0|2,0,0]=4 2893 B14R1.13 C[C@@H](CO)COCC1CCC(=O)CC1 34a_100000062911_100000059175 [0,1,0,1,0,0|2,0,0]=4 2894 B14R1.54 CCC1CCC(C1)N(C)CCC(=O)N 270004a_100000730477_100011218773 [0,1,0,1,0,0|2,0,0]=4 2895 B14R1.678 CC(C)CCC(=O)C1CCC(=O)NC1 1458a_100000740907_100000210312 [0,1,0,1,0,0|1,0,1]=4 2896 B14R1.678 CC1CCC(CC1)N(C)CCC(=O)N 270004a_100000730477_100000185489 [0,1,0,1,0,0|2,0,0]=4 2897 B14R1.1126 C#CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_200000035995 [0,1,0,1,0,0|1,0,1]=4 2898 B14R1.1126 C=CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100011215867 [0,1,0,1,0,0|1,0,1]=4 2899 B14R1.1126 CC(C#N)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000184139 [0,1,0,1,0,0|1,0,1]=4 2900 B14R1.1126 CCC(C)N1CCN(CC1C(=O)O)C 269956a_100020626280_100000758301 [0,1,0,1,0,0|2,0,0]=4 2901 B14R1.1126 CCC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000758301 [0,1,0,1,0,0|1,0,0]=3 2902 B14R1.1126 COC(C)N1CCN(CC1C(=O)O)C 269956a_100020626280_100009879195 [0,1,0,1,0,0|2,0,0]=4 2903 B14R1.1126 COC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100009879195 [0,1,0,1,0,0|1,0,0]=3 2904 B14R1.1126 C[C@@H]1CCN([C@H](C1)C(=O)O)[C@H](C)CO 269956a_100009817619_100016084084 [0,1,0,1,0,0|1,0,0]=3 2905 B14R1.1126 C[C@H](CO)N1CCN(CC1C(=O)O)C 269956a_100020626280_100016084084 [0,1,0,1,0,0|2,0,0]=4 2906 B14R1.1794 CCC1CCCN(CC1)CCC(=O)C 269982a_100000757272_100000053229 [0,1,0,1,0,0|2,0,0]=4 2907 B14R1.1794 CCC1CCCN(CC1)CCC(=O)N 2230a_100000757272_100000744528 [0,1,0,1,0,0|2,0,0]=4 2908 B14R1.1794 CCC1CCCN(CC1)CCC(=O)N 269982a_100000757272_100000744528 [0,1,0,1,0,0|2,0,0]=4 2909 B14R1.1794 CCC1CCCN(CC1)CCC(=O)N 34a_100000757272_100000731001 [0,1,0,1,0,0|2,0,0]=4 2910 B14R1.1794 COC1CCCN(CC1)CCC(=O)C 269982a_100016993962_100000053229 [0,1,0,1,0,0|2,0,0]=4 2911 B14R1.1794 COC1CCCN(CC1)CCC(=O)N 2230a_100016993962_100000744528 [0,1,0,1,0,0|2,0,0]=4 2912 B14R1.1794 COC1CCCN(CC1)CCC(=O)N 269982a_100016993962_100000744528 [0,1,0,1,0,0|2,0,0]=4 2913 B14R1.1794 COC1CCCN(CC1)CCC(=O)N 34a_100016993962_100000731001 [0,1,0,1,0,0|2,0,0]=4 2914 B14R1.3299 CCC(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000748023 [0,1,0,1,0,0|2,0,0]=4 2915 B14R1.3299 CCC(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000748023 [0,1,0,1,0,0|2,0,0]=4 2916 B14R1.3299 CC[C@H](C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100009816398 [0,1,0,1,0,0|2,0,0]=4 2917 B14R1.3299 CC[C@H](C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100009816398 [0,1,0,1,0,0|2,0,0]=4 2918 B14R1.3299 C[C@@H](CO)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000059175 [0,1,0,1,0,0|2,0,0]=4 2919 B14R1.3299 C[C@@H](CO)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000059175 [0,1,0,1,0,0|2,0,0]=4 2920 B14R1.23478 CCC1(CCCN(C1)CCC(=O)C)C 269982a_100000756310_100000053229 [0,1,0,1,0,0|2,0,0]=4 2921 B14R1.23478 CCC1(CCCN(C1)CCC(=O)N)C 2230a_100000756310_100000744528 [0,1,0,1,0,0|2,0,0]=4 2922 B14R1.23478 CCC1(CCCN(C1)CCC(=O)N)C 269982a_100000756310_100000744528 [0,1,0,1,0,0|2,0,0]=4 2923 B14R1.10378 CN(CCC(=O)N)C1CCC(C1)(C)C 270004a_100000730477_100000759959 [0,1,0,1,0,0|2,0,0]=4 2924 B14R1.131 CC(C)(C)CCNC1CCC(=O)NC1 2230a_100000748762_100000755188 [0,1,0,1,0,0|2,0,0]=4 2925 B14R1.131 CC(C)(C)CCNC1CCC(=O)NC1 34a_100000748762_100000755188 [0,1,0,1,0,0|2,0,0]=4 2926 B14R1.131 CC(C)(C)CCOC1CCC(=O)CC1 34a_100000764474_100000755188 [0,1,0,1,0,0|2,0,0]=4 2927 B14R1.131 CC(C)(C)CCOC1CCC(=O)CC1 7a_100000764474_100000755188 [0,1,0,1,0,0|2,0,0]=4 2928 B14R1.131 CC(C)(C)CCOC1CCC(=O)NC1 34a_100000079199_100000755188 [0,1,0,1,0,0|2,0,0]=4 2929 B14R1.131 CC(C)(C)COCC1CCC(=O)CC1 34a_100000062911_100011219605 [0,1,0,1,0,0|2,0,0]=4 2930 B14R1.131 CC(C)(F)COCC1CCC(=O)CC1 34a_100000062911_100011997219 [0,1,0,1,0,0|2,0,0]=4 2931 B14R1.131 CC(C)(O)CCNC1CCC(=O)NC1 2230a_100000748762_100000702414 [0,1,0,1,0,0|2,0,0]=4 2932 B14R1.131 CC(C)(O)CCNC1CCC(=O)NC1 34a_100000748762_100000702414 [0,1,0,1,0,0|2,0,0]=4 2933 B14R1.131 CC(C)(O)CCOC1CCC(=O)CC1 34a_100000764474_100000702414 [0,1,0,1,0,0|2,0,0]=4 2934 B14R1.131 CC(C)(O)CCOC1CCC(=O)CC1 7a_100000764474_100000702414 [0,1,0,1,0,0|2,0,0]=4 2935 B14R1.131 CC(C)(O)CCOC1CCC(=O)NC1 34a_100000079199_100000702414 [0,1,0,1,0,0|2,0,0]=4 2936 B14R1.131 CC(C)(O)COCC1CCC(=O)CC1 34a_100000062911_100000764493 [0,1,0,1,0,0|2,0,0]=4 2937 B14R1.1448 CC(=O)CCN1CC[C@H](C1)C(C)(C)O 269982a_100132313854_100000053229 [0,1,0,1,0,0|2,0,0]=4 2938 B14R1.1448 CC(C)(O)[C@@H]1CCN(C1)CCC(=O)N 2230a_100132313854_100000744528 [0,1,0,1,0,0|2,0,0]=4 2939 B14R1.1448 CC(C)(O)[C@@H]1CCN(C1)CCC(=O)N 269982a_100132313854_100000744528 [0,1,0,1,0,0|2,0,0]=4 2940 B14R1.1448 CC(C)(O)[C@@H]1CCN(C1)CCC(=O)N 34a_100132313854_100000731001 [0,1,0,1,0,0|2,0,0]=4 2941 B14R1.4384 CC(C)(C)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011219605 [0,1,0,1,0,0|2,0,0]=4 2942 B14R1.4384 CC(C)(C)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011219605 [0,1,0,1,0,0|2,0,0]=4 2943 B14R1.4384 CC(C)(F)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100011997219 [0,1,0,1,0,0|2,0,0]=4 2944 B14R1.4384 CC(C)(F)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011997219 [0,1,0,1,0,0|2,0,0]=4 2945 B14R1.4384 CC(C)(O)CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000764493 [0,1,0,1,0,0|2,0,0]=4 2946 B14R1.4384 CC(C)(O)CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000764493 [0,1,0,1,0,0|2,0,0]=4 2947 B14R1.6051 CN1CCN(C(C1)C(=O)O)C(C)(C)C 269956a_100020626280_100000211941 [0,1,0,1,0,0|2,0,0]=4 2948 B14R1.6051 C[C@@H]1CCN([C@H](C1)C(=O)O)C(C)(C)C 269956a_100009817619_100000211941 [0,1,0,1,0,0|1,0,0]=3 2949 B14R1.6417 CC(C)(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000755188 [0,1,0,1,0,0|1,0,0]=3 2950 B14R1.6417 CC(C)(O)CCCN1CC(C1)C(=O)N 34a_100025753142_100009888830 [0,1,0,1,0,0|2,0,0]=4 2951 B14R1.6417 CC(C)(O)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000702414 [0,1,0,1,0,0|1,0,0]=3 2952 B14R1.6417 C[N+](C)(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000085578 [0,1,0,1,0,0|2,0,0]=4 2953 B14R1.6417 C[Si](C)(C)CCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000733723 [0,1,0,1,0,0|1,1,0]=4 2954 B14R1.16393 CC(=O)CCN1CCCC(CC1)(C)O 269982a_100000723723_100000053229 [0,1,0,1,0,0|2,0,0]=4 2955 B14R1.16393 CC1(CCCN(CC1)CCC(=O)N)O 2230a_100000723723_100000744528 [0,1,0,1,0,0|2,0,0]=4 2956 B14R1.16393 CC1(CCCN(CC1)CCC(=O)N)O 269982a_100000723723_100000744528 [0,1,0,1,0,0|2,0,0]=4 2957 B14R1.16393 CC1(CCCN(CC1)CCC(=O)N)O 34a_100000723723_100000731001 [0,1,0,1,0,0|2,0,0]=4 2958 B14R1.687 CC(C)CCNC1CCC(=O)N(C1)C 2230a_100011935005_100000210312 [0,1,0,1,0,0|2,0,0]=4 2959 B14R1.687 CC(C)CCNC1CCC(=O)N(C1)C 269862a_100011935005_100000185833 [0,1,0,1,0,0|2,0,0]=4 2960 B14R1.687 CC(C)CCNC1CCC(=O)N(C1)C 34a_100011935005_100000210312 [0,1,0,1,0,0|2,0,0]=4 2961 B14R1.6001 CC(C)CCCC(C)OC1CCC1=O 34a_200011218570_100009892977 [0,1,0,1,0,0|2,0,0]=4 2962 B14R1.6001 CC(C)CCCC(C)OC1CCC1=O 7a_200011218570_100009892977 [0,1,0,1,0,0|2,0,0]=4 2963 B14R1.10012 CC(=O)C(C)OC1CCCC(C1)(C)C 7a_100011995757_100000179758 [0,1,0,1,0,0|2,0,0]=4 2964 B14R1.10012 CC(OC1CCCC(C1)(C)C)C(=O)N 7a_100011995757_100000702099 [0,1,0,1,0,0|2,0,0]=4 2965 B14R1.10012 CC1(CCCC(C1)OC(F)C(=O)N)C 7a_100011995757_100009813875 [0,1,0,1,0,0|2,0,0]=4 2966 B14R1.10012 C[C@@H](NC1CCCC(C1)(C)C)C(=O)N 270004a_100000119354_100000031663 [0,1,0,1,0,0|2,0,0]=4 2967 B14R1.10012 C[C@H](NC1CCOC(C1)(C)C)C(=O)O 269956a_100000743915_100010191092 [0,1,0,1,0,0|2,0,0]=4 2968 B14R1.162 CNC(=O)CCN(C)C1CCC(C1)C 270004a_100000750875_100011215218 [0,1,0,1,0,0|2,0,0]=4 2969 B14R1.162 COC(=O)CCN(C)C1CCN(C1)C 2230a_103436538152_100000204255 [0,1,0,1,0,0|2,0,0]=4 2970 B14R1.162 COC(=O)CCN(C)C1CCN(C1)C 269982a_100025711912_200012183744 [0,1,0,1,0,0|2,0,0]=4 2971 B14R1.162 COC(=O)CCN(C)C1CCN(C1)C 269982a_103436538152_100000204255 [0,1,0,1,0,0|2,0,0]=4 2972 B14R1.690 CC(C)CCOC1(CCC(=O)CC1)C 34a_100012184276_100000210312 [0,1,0,1,0,0|2,0,0]=4 2973 B14R1.690 CC(C)CCOC1(CCC(=O)CC1)C 7a_100012184276_100000210626 [0,1,0,1,0,0|2,0,0]=4 2974 B14R1.707 C#CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000211873_200009893639 [0,1,0,1,0,0|1,0,0]=3 2975 B14R1.707 C=CC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000185746_200009893639 [0,1,0,1,0,0|1,0,0]=3 2976 B14R1.707 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)CF)C 1458a_100009868045_100015361967 [0,1,0,1,0,0|1,0,0]=3 2977 B14R1.707 CC(C)[C@H]1CC[C@@H](C[C@@H]1C(=O)CO)C 1458a_100000210174_200009893639 [0,1,0,1,0,0|0,0,0]=2 2978 B14R1.707 CCC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1458a_100009868045_100000210202 [0,1,0,1,0,0|1,0,0]=3 2979 B14R1.707 CCC(=O)[C@H]1C[C@H](CC[C@@H]1C(C)C)C 1458a_100000210414_200009893639 [0,1,0,1,0,0|1,0,0]=3 2980 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 11a_106832991635_100009868045 [0,1,0,1,0,0|1,0,0]=3 2981 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 1626a_100102657272_100009868045 [0,1,0,1,0,0|1,0,0]=3 2982 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 240690a_100102657272_100009868045 [0,1,0,1,0,0|1,0,0]=3 2983 B14R1.707 CNC(=O)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C 527a_100102657272_100009868045 [0,1,0,1,0,0|1,0,0]=3 2984 B14R1.707 COC(=O)C1CC(CCN1C(C)C)O 2230a_100020629045_100000210206 [0,1,0,1,0,0|2,0,0]=4 2985 B14R1.707 COC(=O)C1CC(CCN1C(C)C)O 269982a_100020629045_100000210206 [0,1,0,1,0,0|2,0,0]=4 2986 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(C)C)F 2230a_100000724535_100000210760 [0,1,0,1,0,0|2,0,0]=4 2987 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(C)C)F 269982a_100000724535_100000210624 [0,1,0,1,0,0|2,0,0]=4 2988 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(C)C)F 270004a_100000724535_100000210432 [0,1,0,1,0,0|2,0,0]=4 2989 B14R1.724 COC(=O)[C@@H]1C[C@@H](CN1CC(C)C)F 34a_100000724535_100000210624 [0,1,0,1,0,0|2,0,0]=4 2990 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)C)O 2230a_100000753705_100000210760 [0,1,0,1,0,0|2,0,0]=4 2991 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)C)O 269982a_100000753705_100000210624 [0,1,0,1,0,0|2,0,0]=4 2992 B14R1.724 COC(=O)[C@@H]1C[C@H](CN1CC(C)C)O 270004a_100000753705_100000210432 [0,1,0,1,0,0|2,0,0]=4 2993 B14R1.826 CC(C)N1CCC(C1)CNC(=O)CO 240690a_100000743801_100000210174 [0,1,0,1,0,0|2,0,0]=4 2994 B14R1.826 CC(C)N1CCC(C1)CNC(=O)CO 527a_100000743801_100000210174 [0,1,0,1,0,0|2,0,0]=4 2995 B14R1.826 COC(=O)CCN1CC[C@@H](C1)N(C)C 2230a_100016988096_100000204255 [0,1,0,1,0,0|2,0,0]=4 2996 B14R1.826 COC(=O)CCN1CC[C@@H](C1)N(C)C 269982a_100016988096_100000204255 [0,1,0,1,0,0|2,0,0]=4 2997 B14R1.826 COC(=O)CNC1CCN(C1)C(C)C 2230a_100000746141_100000747449 [0,1,0,1,0,0|2,0,0]=4 2998 B14R1.826 COC(=O)CO[C@@H]1CCN(C1)C(C)C 2230a_100102564761_100000210206 [0,1,0,1,0,0|2,0,0]=4 2999 B14R1.826 COC(=O)CO[C@@H]1CCN(C1)C(C)C 269982a_100102564761_100000210206 [0,1,0,1,0,0|2,0,0]=4 3000 B14R1.1149 CNC(=O)C1CN(C1)CCCC(C)C 34a_100000703363_100011214892 [0,1,0,1,0,0|2,0,0]=4 3001 B14R1.1149 COC(=O)C1CC(C1)COCC(C)C 34a_100009884387_100000210624 [0,1,0,1,0,0|1,0,0]=3 3002 B14R1.1149 COC(=O)C1CC(C1)COCC(C)C 7a_100009884387_100000210760 [0,1,0,1,0,0|1,0,0]=3 3003 B14R1.1149 COC(=O)C1CC(C1)COCC(C)O 34a_100009884387_100011218427 [0,1,0,1,0,0|2,0,0]=4 3004 B14R1.1149 COC(=O)C1CC(C1)COCC(C)O 7a_100009884387_100011218427 [0,1,0,1,0,0|2,0,0]=4 3005 B14R1.1149 COC(=O)C1CC(C1)COC[C@@H](C)O 34a_100009884387_100009817552 [0,1,0,1,0,0|2,0,0]=4 3006 B14R1.1149 COC(=O)C1CC(C1)COC[C@@H](C)O 7a_100009884387_100009817552 [0,1,0,1,0,0|2,0,0]=4 3007 B14R1.1149 COC(=O)C1CC(C1)OCCC(C)Br 34a_100009893172_100009897219 [0,1,0,1,0,0|2,0,0]=4 3008 B14R1.1149 COC(=O)C1CC(C1)OCCC(C)C 34a_100000210254_100009897219 [0,1,0,1,0,0|1,0,0]=3 3009 B14R1.1149 COC(=O)C1CC(C1)OCCC(C)C 7a_100000076263_100000210626 [0,1,0,1,0,0|1,0,0]=3 3010 B14R1.1149 COC(=O)C1CC(C1)OCCC(C)C 7a_100000210254_100009897219 [0,1,0,1,0,0|1,0,0]=3 3011 B14R1.1149 COC(=O)C1CC(C1)OCCC(C)O 7a_100000076263_100012276601 [0,1,0,1,0,0|2,0,0]=4 3012 B14R1.1149 COC(=O)C1CC(C1)OCCN(C)C 7a_100000076263_100000755713 [0,1,0,1,0,0|2,0,0]=4 3013 B14R1.1149 COC(=O)C1CC(C1)OCC[C@@H](C)N 34a_100000706166_100009897219 [0,1,0,1,0,0|2,0,0]=4 3014 B14R1.1149 COC(=O)C1CC(C1)SCCC(C)C 62a_100000210312_100009897219 [0,1,0,1,0,0|1,0,0]=3 3015 B14R1.1149 COC(=O)C1CC(C1)SCCC(C)C 62a_100009897219_100000210312 [0,1,0,1,0,0|1,0,0]=3 3016 B14R1.1149 COC(=O)C1CC(C1)SCCC(C)O 62a_100009897219_100012276601 [0,1,0,1,0,0|2,0,0]=4 3017 B14R1.1149 COC(=O)C1CC(C1)SCCC(C)O 62a_100012276601_100009897219 [0,1,0,1,0,0|2,0,0]=4 3018 B14R1.1149 COC(=O)C1CC(C1)SCCN(C)C 62a_100009897219_100000755713 [0,1,0,1,0,0|2,0,0]=4 3019 B14R1.1149 COC(=O)C1CC(C1)SCOC(C)C 62a_100000709892_100009897219 [0,1,0,1,0,0|2,0,0]=4 3020 B14R1.1149 COC(=O)C1CC(C1)SCOC(C)C 62a_100009897219_100000709892 [0,1,0,1,0,0|2,0,0]=4 3021 B14R1.1149 COC(=O)C1CN(C1)CCCC(C)C 269982a_100015188540_100011214892 [0,1,0,1,0,0|1,0,0]=3 3022 B14R1.1149 COC(=O)C1CN(C1)CCCC(C)O 269982a_100015188540_200000718107 [0,1,0,1,0,0|2,0,0]=4 3023 B14R1.1149 COC(=O)C1CN(C1)CCCN(C)C 269982a_100015188540_100000757444 [0,1,0,1,0,0|2,0,0]=4 3024 B14R1.1149 COC(=O)C1CN(C1)CCOC(C)C 269982a_100015188540_100000211751 [0,1,0,1,0,0|2,0,0]=4 3025 B14R1.1149 COC(=O)C1CN(C1)CCSC(C)C 269982a_100015188540_100000730970 [0,1,0,1,0,0|2,0,0]=4 3026 B14R1.7683 CNC(=O)CCN1CCCC(CC1)C 2230a_100025706717_100000737683 [0,1,0,1,0,0|2,0,0]=4 3027 B14R1.7683 CNC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000737683 [0,1,0,1,0,0|2,0,0]=4 3028 B14R1.7683 CNC(=O)CCN1CCCC(CC1)C 34a_100025706717_100012179268 [0,1,0,1,0,0|2,0,0]=4 3029 B14R1.7683 COC(=O)CCN1CCCC(CC1)C 2230a_100025706717_100000204255 [0,1,0,1,0,0|1,0,0]=3 3030 B14R1.7683 COC(=O)CCN1CCCC(CC1)C 269982a_100025706717_100000204255 [0,1,0,1,0,0|1,0,0]=3 3031 B14R1.7683 COC(=O)CCN1CCCC(CC1)C 34a_100025706717_100000742370 [0,1,0,1,0,0|1,0,0]=3 3032 B14R1.7683 COC(=O)CCN1CCCC(CC1)O 2230a_100015186869_100000204255 [0,1,0,1,0,0|2,0,0]=4 3033 B14R1.7683 COC(=O)CCN1CCCC(CC1)O 269982a_100015186869_100000204255 [0,1,0,1,0,0|2,0,0]=4 3034 B14R1.7683 COC(=O)CCN1CCCN(CC1)C 2230a_100000211313_100000204255 [0,1,0,1,0,0|2,0,0]=4 3035 B14R1.7683 COC(=O)CCN1CCCN(CC1)C 269982a_100000211313_100000204255 [0,1,0,1,0,0|2,0,0]=4 3036 B14R1.7688 CNC(=O)CCN1CC(C1)CC(C)C 2230a_214813039686_100000737683 [0,1,0,1,0,0|2,0,0]=4 3037 B14R1.7688 CNC(=O)CCN1CC(C1)CC(C)C 269982a_214813039686_100000737683 [0,1,0,1,0,0|2,0,0]=4 3038 B14R1.7688 CNC(=O)CCN1CC(C1)CC(C)C 34a_214813039686_100012179268 [0,1,0,1,0,0|2,0,0]=4 3039 B14R1.7688 COC(=O)CCN1CC(C1)CC(C)C 2230a_214813039686_100000204255 [0,1,0,1,0,0|1,0,0]=3 3040 B14R1.7688 COC(=O)CCN1CC(C1)CC(C)C 269982a_214813039686_100000204255 [0,1,0,1,0,0|1,0,0]=3 3041 B14R1.7688 COC(=O)CCN1CC(C1)CC(C)C 34a_214813039686_100000742370 [0,1,0,1,0,0|1,0,0]=3 3042 B14R1.7688 COC(=O)CCN1CC(C1)CN(C)C 269982a_100015199603_100000204255 [0,1,0,1,0,0|2,0,0]=4 3043 B14R1.7688 COC(=O)CCN1CC(C1)OC(C)C 2230a_100000698322_100000204255 [0,1,0,1,0,0|2,0,0]=4 3044 B14R1.7688 COC(=O)CCN1CC(C1)OC(C)C 269982a_100000698322_100000204255 [0,1,0,1,0,0|2,0,0]=4 3045 B14R1.7688 COC(=O)CCN1CC(C1)OC(C)C 34a_100000698322_100000742370 [0,1,0,1,0,0|2,0,0]=4 3046 B14R1.7699 CCC(=O)COC1CCCC(C1)(C)C 7a_100011995757_100000747405 [0,1,0,1,0,0|2,0,0]=4 3047 B14R1.7699 CNC(=O)CCN1CCCC(C1)(C)C 2230a_100000716857_100000737683 [0,1,0,1,0,0|2,0,0]=4 3048 B14R1.7699 CNC(=O)CCN1CCCC(C1)(C)C 269982a_100000716857_100000737683 [0,1,0,1,0,0|2,0,0]=4 3049 B14R1.7699 CNC(=O)CCN1CCCC(C1)(C)C 34a_100000716857_100012179268 [0,1,0,1,0,0|2,0,0]=4 3050 B14R1.7699 CNC(=O)CNC1CCCC(C1)(C)C 270004a_100000693194_100000031663 [0,1,0,1,0,0|2,0,0]=4 3051 B14R1.7699 CNC(=O)COC1CCCC(C1)(C)C 7a_100011995757_100000183359 [0,1,0,1,0,0|2,0,0]=4 3052 B14R1.7699 COC(=O)CCN1CCCC(C1)(C)C 2230a_100000716857_100000204255 [0,1,0,1,0,0|1,0,0]=3 3053 B14R1.7699 COC(=O)CCN1CCCC(C1)(C)C 269982a_100000716857_100000204255 [0,1,0,1,0,0|1,0,0]=3 3054 B14R1.7699 COC(=O)CCN1CCCC(C1)(C)C 34a_100000716857_100000742370 [0,1,0,1,0,0|1,0,0]=3 3055 B14R1.7699 COC(=O)CCN1CCCC(C1)(C)O 2230a_100000695535_100000204255 [0,1,0,1,0,0|2,0,0]=4 3056 B14R1.7699 COC(=O)CCN1CCCC(C1)(C)O 269982a_100000695535_100000204255 [0,1,0,1,0,0|2,0,0]=4 3057 B14R1.7699 COC(=O)CCN1CCOC(C1)(C)C 2230a_100000738910_100000204255 [0,1,0,1,0,0|2,0,0]=4 3058 B14R1.7699 COC(=O)CCN1CCOC(C1)(C)C 269982a_100000738910_100000204255 [0,1,0,1,0,0|2,0,0]=4 3059 B14R1.7699 COC(=O)CCN1CCOC(C1)(C)C 34a_100000738910_100000742370 [0,1,0,1,0,0|2,0,0]=4 3060 B14R1.7699 COC(=O)CNC1CCOC(C1)(C)C 2230a_100000696200_100000747449 [0,1,0,1,0,0|2,0,0]=4 3061 B14R1.7699 COC(=O)COC1CCCC(C1)(C)C 7a_100011995757_100000747449 [0,1,0,1,0,0|1,0,0]=3 3062 B14R1.7699 COC(=O)COC1CCOC(C1)(C)C 34a_100000693217_100000747449 [0,1,0,1,0,0|2,0,0]=4 3063 B14R1.7699 COC(=O)COC1CCOC(C1)(C)C 7a_100000693217_100000747449 [0,1,0,1,0,0|2,0,0]=4 3064 B14R1.7699 COC(=O)CSC1CCOC(C1)(C)C 62a_100000747449_100010191092 [0,1,0,1,0,0|2,0,0]=4 3065 B14R1.7699 COC(=O)CSC1CCOC(C1)(C)C 62a_100010191092_100000747449 [0,1,0,1,0,0|2,0,0]=4 3066 B14R1.7759 COC(=O)CCN(C)CCCC1CO1 269982a_100025711912_100000733510 [0,1,0,1,0,0|2,0,0]=4 3067 B14R1.698 CC(C)CC(C)NC1CCC(=O)NC1 2230a_100000748762_100000731052 [0,1,0,1,0,0|2,0,0]=4 3068 B14R1.698 CC(C)CC(C)NC1CCC(=O)NC1 34a_100000748762_100000731052 [0,1,0,1,0,0|2,0,0]=4 3069 B14R1.698 CC(C)CC(C)OC1CCC(=O)CC1 34a_100000764474_100000731052 [0,1,0,1,0,0|2,0,0]=4 3070 B14R1.698 CC(C)CC(C)OC1CCC(=O)CC1 7a_100000764474_100000731052 [0,1,0,1,0,0|2,0,0]=4 3071 B14R1.698 CC(C)CC(C)OC1CCC(=O)NC1 34a_100000079199_100000731052 [0,1,0,1,0,0|2,0,0]=4 3072 B14R1.13082 CC(C)CC(C)N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000731052 [0,1,0,1,0,0|1,0,0]=3 3073 B14R1.13082 CC(CN(C)C)N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100020606517 [0,1,0,1,0,0|2,0,0]=4 3074 B14R1.15554 CC1CC(CC(C1)(C)C)NCC(=O)N 2230a_100011207991_100000747473 [0,1,0,1,0,0|2,0,0]=4 3075 B14R1.539 CCN(CCC(=O)N)C1CCC(C1)C 270004a_100020645749_100011215218 [0,1,0,1,0,0|2,0,0]=4 3076 B14R1.13066 CN(CC(=O)N)C1CCCC(C1)(C)C 270004a_100000739694_100000031663 [0,1,0,1,0,0|2,0,0]=4 3077 B14R1.13066 CN(CC(=O)O)C1CCOC(C1)(C)C 269956a_100000746989_100010191092 [0,1,0,1,0,0|2,0,0]=4 3078 B14R1.1467 CC(C)CN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000210760 [0,1,0,1,0,0|2,0,0]=4 3079 B14R1.29373 CC1(CCCC(N1CC(=O)N)(C)C)C 269982a_100011193410_100000187820 [0,1,0,1,0,0|2,0,0]=4 3080 B14R1.29373 CC1(CCCC(N1CC(=O)N)(C)C)C 34a_100011193410_100000187820 [0,1,0,1,0,0|2,0,0]=4 3081 B14R1.29373 CC1(CCCC(N1CC(=O)N)(C)C)C 7a_100011193410_100000187820 [0,1,0,1,0,0|2,0,0]=4 3082 B14R1.29373 CC1(CCCC(N1CC(=O)[O-])(C)C)C 269982a_100011193410_100020667443 [0,1,0,1,0,0|1,0,1]=4 3083 B14R1.29373 CC1(CCCC(N1CC(=O)[O-])(C)C)C 34a_100011193410_100020667443 [0,1,0,1,0,0|1,0,1]=4 3084 B14R2.4363 CC1CCC(C1)N2CC(C2)C(=O)N 270004a_100025753142_100011215218 [0,0,0,2,0,0|2,0,0]=4 3085 B14R2.15571 CN(CCC(=O)N)C1CCC2C1C2 270004a_100000730477_100000692480 [0,0,0,2,0,0|2,0,0]=4 3086 B14R2.15573 CN(CCC(=O)N)C1CC2CC2C1 270004a_100000730477_100010340937 [0,0,0,2,0,0|2,0,0]=4 3087 B14R2.9205 CN1CCN(C(C1)C(=O)O)C2CC2 269956a_100020626280_100000211595 [0,0,0,2,0,0|2,0,0]=4 3088 B14R2.9205 C[C@@H]1CCN([C@H](C1)C(=O)O)C2CC2 269956a_100009817619_100000211595 [0,0,0,2,0,0|1,0,0]=3 3089 B14R2.951 O=C1CCC(CC1)COCC2CC2 34a_100000062911_100000742324 [0,0,0,2,0,0|2,0,0]=4 3090 B14R2.951 O=C1CCC(CC1)OCCC2CC2 34a_100000764474_100000694398 [0,0,0,2,0,0|2,0,0]=4 3091 B14R2.951 O=C1CCC(CC1)OCCC2CC2 7a_100000764474_100000764125 [0,0,0,2,0,0|2,0,0]=4 3092 B14R2.951 O=C1CCC(CN1)NCCC2CC2 2230a_100000748762_100000694398 [0,0,0,2,0,0|2,0,0]=4 3093 B14R2.951 O=C1CCC(CN1)NCCC2CC2 34a_100000748762_100000694398 [0,0,0,2,0,0|2,0,0]=4 3094 B14R2.951 O=C1CCC(CN1)OCCC2CC2 34a_100000079199_100000694398 [0,0,0,2,0,0|2,0,0]=4 3095 B14R2.8952 CC(C)CC1CN(C1)C2CC(=O)C2 269982a_214813039686_100009894365 [0,0,0,2,0,0|2,0,0]=4 3096 B14R2.704 CC1(CCCN(C1)C2CC(=O)C2)C 269982a_100000716857_100009894365 [0,0,0,2,0,0|2,0,0]=4 3097 B14R2.4750 CC(=O)CCN1CCC(C1)C2CC2 269982a_100000695110_100000053229 [0,0,0,2,0,0|2,0,0]=4 3098 B14R2.4750 NC(=O)CCN1CCC(C1)C2CC2 2230a_100000695110_100000744528 [0,0,0,2,0,0|2,0,0]=4 3099 B14R2.4750 NC(=O)CCN1CCC(C1)C2CC2 269982a_100000695110_100000744528 [0,0,0,2,0,0|2,0,0]=4 3100 B14R2.4750 NC(=O)CCN1CCC(C1)C2CC2 34a_100000695110_100000731001 [0,0,0,2,0,0|2,0,0]=4 3101 B14R2.20849 O=C(O)[C@@H]1C[C@@H](CN1CC2CC2)F 269956a_100016993324_100000742324 [0,0,0,2,0,0|2,0,0]=4 3102 B14R2.20849 O=C(O)[C@@H]1C[C@@H](CN1CC2CC2)O 269956a_100000750407_100000742324 [0,0,0,2,0,0|2,0,0]=4 3103 B14R2.30846 O=C(O)[C@H]1C[C@H](C1)NCCC2CC2 269956a_100000738708_100000694398 [0,0,0,2,0,0|1,0,0]=3 3104 B14R2.30846 O=C(O)[C@H]1C[C@H](C1)NCCC2CO2 269956a_100000738708_100000732470 [0,0,0,2,0,0|2,0,0]=4 3105 B14R2.31135 CC(=O)CCN1CC2C(C1)C2(C)C 269982a_100000760622_100000053229 [0,0,0,2,0,0|2,0,0]=4 3106 B14R2.31135 CC1(C2C1CN(C2)CCC(=O)N)C 2230a_100000760622_100000744528 [0,0,0,2,0,0|2,0,0]=4 3107 B14R2.31135 CC1(C2C1CN(C2)CCC(=O)N)C 269982a_100000760622_100000744528 [0,0,0,2,0,0|2,0,0]=4 3108 B14R2.31135 CC1(C2C1CN(C2)CCC(=O)N)C 34a_100000760622_100000731001 [0,0,0,2,0,0|2,0,0]=4 3109 B14R2.5325 CC1CCCN(CC1)C2CC(=O)C2 269982a_100025706717_100009894365 [0,0,0,2,0,0|2,0,0]=4 3110 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,0,0,0,1,0|1,0,0]=3 3111 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,0,0,0,1,0|1,0,0]=3 3112 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,0,0,0,1,0|2,0,0]=4 3113 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,0,0,0,1,0|2,0,0]=4 3114 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,0,0,0,1,0|2,0,0]=4 3115 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,0,0,0,1,0|2,0,0]=4 3116 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,0,0,0,1,0|2,0,0]=4 3117 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,0,0,0,1,0|2,0,0]=4 3118 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,0,0,0,1,0|2,0,0]=4 3119 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,0,0,0,1,0|2,0,0]=4 3120 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,0,0,0,1,0|2,0,0]=4 3121 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,0,0,0,1,0|2,0,0]=4 3122 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,0,0,0,1,0|2,0,0]=4 3123 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,0,0,0,1,0|2,0,0]=4 3124 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,0,0,0,1,0|2,0,0]=4 3125 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,0,0,0,1,0|2,0,0]=4 3126 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,0,0,0,1,0|2,0,0]=4 3127 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,0,0,0,1,0|2,0,0]=4 3128 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,0,0,0,1,0|1,0,0]=3 3129 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,0,0,0,1,0|2,0,0]=4 3130 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,0,0,0,1,0|2,0,0]=4 3131 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,0,0,0,1,0|2,0,0]=4 3132 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,0,0,0,1,0|1,0,0]=3 3133 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,0,0,0,1,0|1,0,1]=4 3134 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,0,0,0,1,0|2,0,0]=4 3135 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,0,0,0,1,0|2,0,0]=4 3136 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,0,0,0,1,0|1,0,1]=4 3137 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,0,0,0,1,0|2,0,0]=4 3138 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,0,0,0,1,0|2,0,0]=4 3139 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,0,0,0,1,0|1,0,1]=4 3140 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,0,0,0,1,0|1,0,1]=4 3141 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,0,0,0,1,0|2,0,0]=4 3142 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [1,0,0,0,1,0|2,0,0]=4 3143 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,0,0,0,1,0|2,0,0]=4 3144 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,0,0,0,1,0|2,0,0]=4 3145 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,0,0,0,1,0|2,0,0]=4 3146 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,0,0,0,1,0|2,0,0]=4 3147 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,0,0,0,1,0|2,0,0]=4 3148 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,0,0,0,1,0|2,0,0]=4 3149 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000210953_100102525003 [1,0,0,0,1,0|2,0,0]=4 3150 B10R0.97 CC(C)CNCCCC(=O)N 34a_100000739312_100000210624 [1,0,0,0,1,0|2,0,0]=4 3151 B10R0.97 CC(C)COCCCC(=O)N 34a_100000210257_100102525003 [1,0,0,0,1,0|2,0,0]=4 3152 B10R0.97 CC(C)CSCCCC(=O)N 62a_100000210624_100102525003 [1,0,0,0,1,0|2,0,0]=4 3153 B10R0.97 CC(C)CSCCCC(=O)N 62a_100102525003_100000210760 [1,0,0,0,1,0|2,0,0]=4 3154 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,0,0,0,1,0|2,0,0]=4 3155 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,0,0,0,1,0|2,0,0]=4 3156 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,0,0,0,1,0|2,0,0]=4 3157 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,0,0,0,1,0|2,0,0]=4 3158 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [1,0,0,0,1,0|2,0,0]=4 3159 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [1,0,0,0,1,0|2,0,0]=4 3160 B10R0.97 CC(O)CCCNCC(=O)O 269956a_100016091260_200000718107 [1,0,0,0,1,0|2,0,0]=4 3161 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,0,0,0,1,0|2,0,0]=4 3162 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,0,0,0,1,0|2,0,0]=4 3163 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,0,0,0,1,0|2,0,0]=4 3164 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,0,0,0,1,0|2,0,0]=4 3165 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,0,0,0,1,0|2,0,0]=4 3166 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,0,0,0,1,0|2,0,0]=4 3167 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,0,0,0,1,0|2,0,0]=4 3168 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,0,0,0,1,0|2,0,0]=4 3169 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,0,0,0,1,0|2,0,0]=4 3170 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,0,0,0,1,0|2,0,0]=4 3171 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,0,0,0,1,0|1,0,0]=3 3172 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,0,0,0,1,0|1,0,1]=4 3173 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,0,0,0,1,0|2,0,0]=4 3174 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [1,0,0,0,1,0|2,0,0]=4 3175 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [1,0,0,0,1,0|2,0,0]=4 3176 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [1,0,0,0,1,0|2,0,0]=4 3177 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,0,0,0,1,0|2,0,0]=4 3178 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,0,0,0,1,0|2,0,0]=4 3179 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,2,0|2,0,0]=4 3180 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,2,0|2,0,0]=4 3181 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,2,0|2,0,0]=4 3182 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,2,0|2,0,0]=4 3183 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,0,0,0,2,0|2,0,0]=4 3184 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,0,0,0,2,0|2,0,0]=4 3185 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,0,0,0,2,0|2,0,0]=4 3186 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,2,0|1,0,0]=3 3187 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,0,0,0,2,0|1,0,1]=4 3188 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,2,0|2,0,0]=4 3189 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,0,0,0,2,0|2,0,0]=4 3190 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,0,0,0,2,0|2,0,0]=4 3191 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,0,0,0,2,0|2,0,0]=4 3192 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,0,0,0,2,0|2,0,0]=4 3193 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,0,0,0,2,0|2,0,0]=4 3194 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,0,0,0,2,0|2,0,0]=4 3195 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,0,0,0,2,0|2,0,0]=4 3196 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,0,0,0,2,0|2,0,0]=4 3197 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,0,0,0,2,0|2,0,0]=4 3198 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,2,0|1,0,0]=3 3199 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,0,0,0,2,0|2,0,0]=4 3200 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,0,0,0,2,0|2,0,0]=4 3201 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,0,0,0,2,0|2,0,0]=4 3202 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,0,0,0,2,0|2,0,0]=4 3203 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,0,0,0,2,0|1,0,1]=4 3204 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,0,0,0,2,0|2,0,0]=4 3205 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,0,0,0,2,0|2,0,0]=4 3206 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,0,0,0,2,0|2,0,0]=4 3207 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,0,0,0,2,0|2,0,0]=4 3208 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,2,0|1,0,0]=3 3209 B10R0.98 CC(C)CNCC(F)C(=O)O 269956a_100000084737_100000210760 [0,0,0,0,2,0|2,0,0]=4 3210 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,2,0|2,0,0]=4 3211 B10R0.98 CC(CNC[C@@H](C)O)C(=O)O 269956a_100000749485_100009817552 [0,0,0,0,2,0|2,0,0]=4 3212 B10R0.98 CC(O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100012276601 [0,0,0,0,2,0|2,0,0]=4 3213 B10R0.98 CC(O)CNCC(C)C(=O)O 269956a_100000749485_100011218427 [0,0,0,0,2,0|2,0,0]=4 3214 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,2,0|2,0,0]=4 3215 B12R0.268 C=C(Br)CCOCCCCC(C)C 34a_100009813270_100011216152 [1,0,0,0,0,1|2,0,0]=4 3216 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100000764851_100011216152 [1,0,0,0,0,1|2,0,0]=4 3217 B12R0.268 C=C(C)CCOCCCCC(C)C 34a_100011214890_100000730704 [1,0,0,0,0,1|2,0,0]=4 3218 B12R0.268 C=C(C)CCOCCCCC(C)C 7a_100011214890_100000730704 [1,0,0,0,0,1|2,0,0]=4 3219 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100000730704_100011216152 [1,0,0,0,0,1|2,0,0]=4 3220 B12R0.268 C=C(C)CCSCCCCC(C)C 62a_100011216152_100000730704 [1,0,0,0,0,1|2,0,0]=4 3221 B12R0.268 C=C(C)CNCCCCCC(C)C 2230a_100011290863_100000748629 [1,0,0,0,0,1|2,0,0]=4 3222 B12R0.268 C=C(C)CNCCCCCC(C)C 34a_100011290863_100000748629 [1,0,0,0,0,1|2,0,0]=4 3223 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100000210245_100000210682 [1,0,0,0,0,1|2,0,0]=4 3224 B12R0.268 C=C(C)COCCCCCC(C)C 34a_100011995859_100000748629 [1,0,0,0,0,1|2,0,0]=4 3225 B12R0.268 C=C(C)COCCCCCC(C)C 7a_100011995859_100000748629 [1,0,0,0,0,1|2,0,0]=4 3226 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000210682_100000211660 [1,0,0,0,0,1|2,0,0]=4 3227 B12R0.268 C=C(C)CSCCCCCC(C)C 62a_100000748629_100000210682 [1,0,0,0,0,1|2,0,0]=4 3228 B12R0.268 C=C(F)CNCCCCCC(C)C 2230a_100011290863_100009893438 [1,0,0,0,0,1|2,0,0]=4 3229 B12R0.268 C=C(F)CNCCCCCC(C)C 34a_100011290863_100009893438 [1,0,0,0,0,1|2,0,0]=4 3230 B12R0.268 C=C(F)COCCCCCC(C)C 34a_100011995859_100009893438 [1,0,0,0,0,1|2,0,0]=4 3231 B12R0.268 C=C(F)COCCCCCC(C)C 34a_200010262243_100000210682 [1,0,0,0,0,1|2,0,0]=4 3232 B12R0.268 C=C(F)COCCCCCC(C)C 7a_100011995859_100000042424 [1,0,0,0,0,1|2,0,0]=4 3233 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000042424_100000210682 [1,0,0,0,0,1|2,0,0]=4 3234 B12R0.268 C=C(F)CSCCCCCC(C)C 62a_100000210682_100000042424 [1,0,0,0,0,1|2,0,0]=4 3235 B12R0.268 CC(=O)CCCCOCCC(C)Br 34a_100009893172_100009817362 [1,0,0,0,0,1|2,0,0]=4 3236 B12R0.268 CC(=O)CCCCOCCC(C)C 34a_100000210254_100009817362 [1,0,0,0,0,1|1,0,0]=3 3237 B12R0.268 CC(=O)CCCCOCCC(C)C 7a_100000210254_100000735457 [1,0,0,0,0,1|1,0,0]=3 3238 B12R0.268 CC(=O)CCCCOCC[C@@H](C)N 34a_100000706166_100009817362 [1,0,0,0,0,1|2,0,0]=4 3239 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000210312_100000735457 [1,0,0,0,0,1|1,0,0]=3 3240 B12R0.268 CC(=O)CCCCSCCC(C)C 62a_100000735457_100000210312 [1,0,0,0,0,1|1,0,0]=3 3241 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100000735457_100012276601 [1,0,0,0,0,1|2,0,0]=4 3242 B12R0.268 CC(=O)CCCCSCCC(C)O 62a_100012276601_100000735457 [1,0,0,0,0,1|2,0,0]=4 3243 B12R0.268 CC(=O)CCCCSCCN(C)C 62a_100000735457_100000755713 [1,0,0,0,0,1|2,0,0]=4 3244 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000709892_100000735457 [1,0,0,0,0,1|2,0,0]=4 3245 B12R0.268 CC(=O)CCCCSCOC(C)C 62a_100000735457_100000709892 [1,0,0,0,0,1|2,0,0]=4 3246 B12R0.268 CC(=O)CCCNCCCC(C)C 34a_200000737386_100000685027 [1,0,0,0,0,1|1,0,0]=3 3247 B12R0.268 CC(=O)CCCNCCOC(C)C 34a_100000701111_100000685027 [1,0,0,0,0,1|2,0,0]=4 3248 B12R0.268 CC(=O)CCCNCCSC(C)C 34a_100000731138_100000685027 [1,0,0,0,0,1|2,0,0]=4 3249 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000210774_100000685027 [1,0,0,0,0,1|1,0,0]=3 3250 B12R0.268 CC(=O)CCCOCCCC(C)C 34a_100000759063_100011214892 [1,0,0,0,0,1|1,0,0]=3 3251 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000210774_100011215641 [1,0,0,0,0,1|1,0,0]=3 3252 B12R0.268 CC(=O)CCCOCCCC(C)C 7a_100000759063_100011214892 [1,0,0,0,0,1|1,0,0]=3 3253 B12R0.268 CC(=O)CCCOCCCC(C)O 34a_100000759063_200000718107 [1,0,0,0,0,1|2,0,0]=4 3254 B12R0.268 CC(=O)CCCOCCCC(C)O 7a_100000759063_200000718107 [1,0,0,0,0,1|2,0,0]=4 3255 B12R0.268 CC(=O)CCCOCCCN(C)C 7a_100000759063_100000757444 [1,0,0,0,0,1|2,0,0]=4 3256 B12R0.268 CC(=O)CCCOCCNC(C)C 34a_100000224655_100000685027 [1,0,0,0,0,1|2,0,0]=4 3257 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000211219_100000685027 [1,0,0,0,0,1|2,0,0]=4 3258 B12R0.268 CC(=O)CCCOCCOC(C)C 34a_100000759063_100000211751 [1,0,0,0,0,1|2,0,0]=4 3259 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000211219_100011215641 [1,0,0,0,0,1|2,0,0]=4 3260 B12R0.268 CC(=O)CCCOCCOC(C)C 7a_100000759063_100000211751 [1,0,0,0,0,1|2,0,0]=4 3261 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_100000759063_100000730970 [1,0,0,0,0,1|2,0,0]=4 3262 B12R0.268 CC(=O)CCCOCCSC(C)C 34a_200011212901_100000685027 [1,0,0,0,0,1|2,0,0]=4 3263 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_100000759063_100000730970 [1,0,0,0,0,1|2,0,0]=4 3264 B12R0.268 CC(=O)CCCOCCSC(C)C 7a_200011212901_100011215641 [1,0,0,0,0,1|2,0,0]=4 3265 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011214892_100011215641 [1,0,0,0,0,1|1,0,0]=3 3266 B12R0.268 CC(=O)CCCSCCCC(C)C 62a_100011215641_100011214892 [1,0,0,0,0,1|1,0,0]=3 3267 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_100011215641_200000718107 [1,0,0,0,0,1|2,0,0]=4 3268 B12R0.268 CC(=O)CCCSCCCC(C)O 62a_200000718107_100011215641 [1,0,0,0,0,1|2,0,0]=4 3269 B12R0.268 CC(=O)CCCSCCCN(C)C 62a_100011215641_100000757444 [1,0,0,0,0,1|2,0,0]=4 3270 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100000211751_100011215641 [1,0,0,0,0,1|2,0,0]=4 3271 B12R0.268 CC(=O)CCCSCCOC(C)C 62a_100011215641_100000211751 [1,0,0,0,0,1|2,0,0]=4 3272 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100000730970_100011215641 [1,0,0,0,0,1|2,0,0]=4 3273 B12R0.268 CC(=O)CCCSCCSC(C)C 62a_100011215641_100000730970 [1,0,0,0,0,1|2,0,0]=4 3274 B12R0.268 CC(=O)CCOCCCCC(C)C 34a_100000759926_100011216152 [1,0,0,0,0,1|1,0,0]=3 3275 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100000759926_100011216152 [1,0,0,0,0,1|1,0,0]=3 3276 B12R0.268 CC(=O)CCOCCCCC(C)C 7a_100011214890_100000053229 [1,0,0,0,0,1|1,0,0]=3 3277 B12R0.268 CC(=O)CCOCCOCC(C)C 7a_100000703358_100000053229 [1,0,0,0,0,1|2,0,0]=4 3278 B12R0.268 CC(=O)CCOCCSCC(C)C 7a_200000230437_100000053229 [1,0,0,0,0,1|2,0,0]=4 3279 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100000053229_100011216152 [1,0,0,0,0,1|1,0,0]=3 3280 B12R0.268 CC(=O)CCSCCCCC(C)C 62a_100011216152_100000053229 [1,0,0,0,0,1|1,0,0]=3 3281 B12R0.268 CC(=O)CCSCCCCN(C)C 62a_100000053229_100000690147 [1,0,0,0,0,1|2,0,0]=4 3282 B12R0.268 CC(=O)COCCCCCC(C)C 34a_100000211253_100000210682 [1,0,0,0,0,1|1,0,0]=3 3283 B12R0.268 CC(=O)NCCCCCCC(C)C 11a_100000211014_100015343762 [1,0,0,0,0,1|1,0,0]=3 3284 B12R0.268 CC(=O)NCCCCCCC(C)C 1626a_100000211014_100015343762 [1,0,0,0,0,1|1,0,0]=3 3285 B12R0.268 CC(=O)NCCCCCCC(C)C 240690a_100000211014_100015343762 [1,0,0,0,0,1|1,0,0]=3 3286 B12R0.268 CC(=O)NCCCCCCC(C)C 527a_100000211014_100103153847 [1,0,0,0,0,1|1,0,0]=3 3287 B12R0.268 CC(=O)NCCCCCCN(C)C 240690a_200011233508_100015343762 [1,0,0,0,0,1|2,0,0]=4 3288 B12R0.268 CC(=O)NCCCCCNC(C)C 2230a_200012022750_100000210206 [1,0,0,0,0,1|2,0,0]=4 3289 B12R0.268 CC(=O)NCCCCCNC(C)C 34a_200012022750_100000210206 [1,0,0,0,0,1|2,0,0]=4 3290 B12R0.268 CC(=O)NCCCCNCC(C)C 2230a_200011368371_100000210760 [1,0,0,0,0,1|2,0,0]=4 3291 B12R0.268 CC(=O)NCCCCNCC(C)C 270004a_200011368371_100000210432 [1,0,0,0,0,1|2,0,0]=4 3292 B12R0.268 CC(=O)NCCCCNCC(C)C 34a_200011368371_100000210624 [1,0,0,0,0,1|2,0,0]=4 3293 B12R0.268 CC(=O)NCCCNCCC(C)C 269862a_100000736810_100000185833 [1,0,0,0,0,1|2,0,0]=4 3294 B12R0.268 CC(=O)NCCCNCCC(C)C 34a_100000736810_100000210312 [1,0,0,0,0,1|2,0,0]=4 3295 B12R0.268 CC(=O)NCCCOCCC(C)C 34a_100000752032_100000210312 [1,0,0,0,0,1|2,0,0]=4 3296 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_100000209853_100011214892 [1,0,0,0,0,1|2,0,0]=4 3297 B12R0.268 CC(=O)NCCNCCCC(C)C 2230a_200000737386_100000189650 [1,0,0,0,0,1|2,0,0]=4 3298 B12R0.268 CC(=O)NCCOCCCC(C)C 34a_100000158858_100011214892 [1,0,0,0,0,1|2,0,0]=4 3299 B12R0.268 CC(=O)NCCOCCCC(C)C 7a_100000210774_100000189650 [1,0,0,0,0,1|2,0,0]=4 3300 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100000189650_100011214892 [1,0,0,0,0,1|2,0,0]=4 3301 B12R0.268 CC(=O)NCCSCCCC(C)C 62a_100011214892_100000189650 [1,0,0,0,0,1|2,0,0]=4 3302 B12R0.268 CC(=O)OCCCCCNC(C)C 2230a_100138425928_100009813381 [1,0,0,0,0,1|2,0,0]=4 3303 B12R0.268 CC(=O)OCCCCCNC(C)C 34a_100138425928_100000033007 [1,0,0,0,0,1|2,0,0]=4 3304 B12R0.268 CC(=O)OCCCCCOC(C)C 34a_100000212225_100000033007 [1,0,0,0,0,1|2,0,0]=4 3305 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000033007_100000210206 [1,0,0,0,0,1|2,0,0]=4 3306 B12R0.268 CC(=O)OCCCCCSC(C)C 62a_100000210206_100000033007 [1,0,0,0,0,1|2,0,0]=4 3307 B12R0.268 CC(=O)OCCCCNCC(C)C 34a_100000210953_100000033659 [1,0,0,0,0,1|2,0,0]=4 3308 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000073216_100000210624 [1,0,0,0,0,1|2,0,0]=4 3309 B12R0.268 CC(=O)OCCCCOCC(C)C 34a_100000210257_100000033659 [1,0,0,0,0,1|2,0,0]=4 3310 B12R0.268 CC(=O)OCCCCOCC(C)C 7a_100000073216_100000210760 [1,0,0,0,0,1|2,0,0]=4 3311 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000033659_100000210760 [1,0,0,0,0,1|2,0,0]=4 3312 B12R0.268 CC(=O)OCCCCSCC(C)C 62a_100000210624_100000033659 [1,0,0,0,0,1|2,0,0]=4 3313 B12R0.268 CC(=O)OCCCOCCC(C)C 34a_100000210254_100000042594 [1,0,0,0,0,1|2,0,0]=4 3314 B12R0.268 CC(=O)OCCCOCCC(C)C 7a_100000210254_100000042594 [1,0,0,0,0,1|2,0,0]=4 3315 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000042594_100000210312 [1,0,0,0,0,1|2,0,0]=4 3316 B12R0.268 CC(=O)OCCCSCCC(C)C 62a_100000210312_100000042594 [1,0,0,0,0,1|2,0,0]=4 3317 B12R0.268 CC(=O)OCCNCCCC(C)C 34a_200000737386_100009814007 [1,0,0,0,0,1|2,0,0]=4 3318 B12R0.268 CC(=O)OCCOCCCC(C)C 34a_100000210774_100009814007 [1,0,0,0,0,1|2,0,0]=4 3319 B12R0.268 CC(=O)OCCOCCCC(C)C 7a_100000210774_100009814007 [1,0,0,0,0,1|2,0,0]=4 3320 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100009814007_100011214892 [1,0,0,0,0,1|2,0,0]=4 3321 B12R0.268 CC(=O)OCCSCCCC(C)C 62a_100011214892_100009814007 [1,0,0,0,0,1|2,0,0]=4 3322 B12R0.268 CC(=O)OCOCCCCC(C)C 34a_100011214890_100009813279 [1,0,0,0,0,1|2,0,0]=4 3323 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100000076356_100011216152 [1,0,0,0,0,1|2,0,0]=4 3324 B12R0.268 CC(=O)OCSCCCCC(C)C 62a_100011216152_100000076356 [1,0,0,0,0,1|2,0,0]=4 3325 B12R0.268 CC(=O)SCCCCNCC(C)C 2230a_100000210953_200010402107 [1,0,0,0,0,1|2,0,0]=4 3326 B12R0.268 CC(=O)SCCCCNCC(C)C 34a_100000210953_200010402107 [1,0,0,0,0,1|2,0,0]=4 3327 B12R0.268 CC(=O)SCCCCOCC(C)C 34a_100000210257_200010402107 [1,0,0,0,0,1|2,0,0]=4 3328 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_100000210624_200010402107 [1,0,0,0,0,1|2,0,0]=4 3329 B12R0.268 CC(=O)SCCCCSCC(C)C 62a_200010402107_100000210760 [1,0,0,0,0,1|2,0,0]=4 3330 B12R0.268 CC(=O)SCCCOCCC(C)C 34a_100000210254_100000038929 [1,0,0,0,0,1|2,0,0]=4 3331 B12R0.268 CC(=O)SCCCOCCC(C)C 7a_100000210254_100000038929 [1,0,0,0,0,1|2,0,0]=4 3332 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000038929_100000210312 [1,0,0,0,0,1|2,0,0]=4 3333 B12R0.268 CC(=O)SCCCSCCC(C)C 62a_100000210312_100000038929 [1,0,0,0,0,1|2,0,0]=4 3334 B12R0.268 CC(Br)COCCCCCC(=O)N 34a_100012180447_100009817443 [1,0,0,0,0,1|2,0,0]=4 3335 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100000711301_100000210682 [1,0,0,0,0,1|1,0,0]=3 3336 B12R0.268 CC(C)CCCCCNCC(=O)N 2230a_100011290863_100000747473 [1,0,0,0,0,1|1,0,0]=3 3337 B12R0.268 CC(C)CCCCCNCC(=O)N 34a_100011290863_100000187820 [1,0,0,0,0,1|1,0,0]=3 3338 B12R0.268 CC(C)CCCCCNCC(=O)O 269956a_100016091260_100000210682 [1,0,0,0,0,1|0,0,0]=2 3339 B12R0.268 CC(C)CCCCCNCC(=O)[O-] 34a_100011290863_100020667443 [1,0,0,0,0,1|0,0,1]=3 3340 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100000210904_100000210682 [1,0,0,0,0,1|1,0,1]=4 3341 B12R0.268 CC(C)CCCCCNCC(C)O 2230a_100011290863_100011218427 [1,0,0,0,0,1|1,0,1]=4 3342 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100000210904_100000210682 [1,0,0,0,0,1|1,0,1]=4 3343 B12R0.268 CC(C)CCCCCNCC(C)O 34a_100011290863_100011218427 [1,0,0,0,0,1|1,0,1]=4 3344 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 2230a_100011290863_100009817552 [1,0,0,0,0,1|1,0,1]=4 3345 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 34a_100011290863_100009817552 [1,0,0,0,0,1|1,0,1]=4 3346 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 34a_100011290863_100000761209 [1,0,0,0,0,1|1,0,1]=4 3347 B12R0.268 CC(C)CCCCCOCC(=O)N 34a_100011995859_100000187820 [1,0,0,0,0,1|1,0,0]=3 3348 B12R0.268 CC(C)CCCCCOCC(=O)N 7a_100011995859_100000187820 [1,0,0,0,0,1|1,0,0]=3 3349 B12R0.268 CC(C)CCCCCOCC(=O)[O-] 34a_100011995859_100020667443 [1,0,0,0,0,1|0,0,1]=3 3350 B12R0.268 CC(C)CCCCCOCC(C)O 34a_100011995859_100011218427 [1,0,0,0,0,1|1,0,1]=4 3351 B12R0.268 CC(C)CCCCCOCC(C)O 7a_100011995859_100011218427 [1,0,0,0,0,1|1,0,1]=4 3352 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 34a_100011995859_100009817552 [1,0,0,0,0,1|1,0,1]=4 3353 B12R0.268 CC(C)CCCCCOC[C@@H](C)O 7a_100011995859_100009817552 [1,0,0,0,0,1|1,0,1]=4 3354 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 34a_100011995859_100000761209 [1,0,0,0,0,1|1,0,1]=4 3355 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000210682_100000747473 [1,0,0,0,0,1|1,0,0]=3 3356 B12R0.268 CC(C)CCCCCSCC(=O)N 62a_100000747473_100000210682 [1,0,0,0,0,1|1,0,0]=3 3357 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100000210682_100020667443 [1,0,0,0,0,1|0,0,1]=3 3358 B12R0.268 CC(C)CCCCCSCC(=O)[O-] 62a_100020667443_100000210682 [1,0,0,0,0,1|0,0,1]=3 3359 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100000210682_100011218427 [1,0,0,0,0,1|1,0,1]=4 3360 B12R0.268 CC(C)CCCCCSCC(C)O 62a_100011218427_100000210682 [1,0,0,0,0,1|1,0,1]=4 3361 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100000210682_100009817552 [1,0,0,0,0,1|1,0,1]=4 3362 B12R0.268 CC(C)CCCCCSC[C@@H](C)O 62a_100009817552_100000210682 [1,0,0,0,0,1|1,0,1]=4 3363 B12R0.268 CC(C)CCCCCSC[N+](=O)[O-] 62a_100000210682_100000761209 [1,0,0,0,0,1|1,0,1]=4 3364 B12R0.268 CC(C)CCCCNCCC(C)O 2230a_200000755665_100011216152 [1,0,0,0,0,1|1,0,1]=4 3365 B12R0.268 CC(C)CCCCNOCC(=O)O 269956a_100000106656_100011216152 [1,0,0,0,0,1|1,0,0]=3 3366 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100000757172_100011216152 [1,0,0,0,0,1|1,0,0]=3 3367 B12R0.268 CC(C)CCCCOCCC(=O)N 34a_100011214890_100000731001 [1,0,0,0,0,1|1,0,0]=3 3368 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100000757172_100011216152 [1,0,0,0,0,1|1,0,0]=3 3369 B12R0.268 CC(C)CCCCOCCC(=O)N 7a_100011214890_100000744528 [1,0,0,0,0,1|1,0,0]=3 3370 B12R0.268 CC(C)CCCCOCCC(C)O 34a_100011214890_100012276601 [1,0,0,0,0,1|1,0,1]=4 3371 B12R0.268 CC(C)CCCCOCCC(C)O 7a_100011214890_100012276601 [1,0,0,0,0,1|1,0,1]=4 3372 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100000744528_100011216152 [1,0,0,0,0,1|1,0,0]=3 3373 B12R0.268 CC(C)CCCCSCCC(=O)N 62a_100011216152_100000744528 [1,0,0,0,0,1|1,0,0]=3 3374 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100011216152_100012276601 [1,0,0,0,0,1|1,0,1]=4 3375 B12R0.268 CC(C)CCCCSCCC(C)O 62a_100012276601_100011216152 [1,0,0,0,0,1|1,0,1]=4 3376 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_100000739312_100011214892 [1,0,0,0,0,1|1,0,0]=3 3377 B12R0.268 CC(C)CCCNCCCC(=O)N 34a_200000737386_100102525003 [1,0,0,0,0,1|1,0,0]=3 3378 B12R0.268 CC(C)CCCNCCCC(C)O 2230a_200000737386_200000718107 [1,0,0,0,0,1|1,0,1]=4 3379 B12R0.268 CC(C)CCCNCCCC(C)O 34a_200000737386_200000718107 [1,0,0,0,0,1|1,0,1]=4 3380 B12R0.268 CC(C)CCCNCCCS(=O)C 2230a_200000753449_100011214892 [1,0,0,0,0,1|2,0,0]=4 3381 B12R0.268 CC(C)CCCNCCNC(=O)N 2230a_200000737386_200000034859 [1,0,0,0,0,1|2,0,0]=4 3382 B12R0.268 CC(C)CCCNCCNC(=O)N 34a_100020590234_100011214892 [1,0,0,0,0,1|2,0,0]=4 3383 B12R0.268 CC(C)CCCNCCOC(=O)N 34a_200000737386_200011214921 [1,0,0,0,0,1|2,0,0]=4 3384 B12R0.268 CC(C)CCCOCCCC(=O)N 34a_100000210774_100102525003 [1,0,0,0,0,1|1,0,0]=3 3385 B12R0.268 CC(C)CCCOCCCC(=O)N 7a_100000210774_100102525003 [1,0,0,0,0,1|1,0,0]=3 3386 B12R0.268 CC(C)CCCOCCCC(C)O 34a_100000210774_200000718107 [1,0,0,0,0,1|1,0,1]=4 3387 B12R0.268 CC(C)CCCOCCCC(C)O 7a_100000210774_200000718107 [1,0,0,0,0,1|1,0,1]=4 3388 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 34a_200000037920_100011214892 [1,0,0,0,0,1|1,0,1]=4 3389 B12R0.268 CC(C)CCCOCCNC(=O)N 34a_100000181757_100011214892 [1,0,0,0,0,1|2,0,0]=4 3390 B12R0.268 CC(C)CCCOCCNC(=O)N 7a_100000210774_200000034859 [1,0,0,0,0,1|2,0,0]=4 3391 B12R0.268 CC(C)CCCOCCOC(=O)N 34a_100000210774_200011214921 [1,0,0,0,0,1|2,0,0]=4 3392 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000210774_200011214921 [1,0,0,0,0,1|2,0,0]=4 3393 B12R0.268 CC(C)CCCOCCOC(=O)N 7a_100000766696_100011214892 [1,0,0,0,0,1|2,0,0]=4 3394 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100011214892_100102525003 [1,0,0,0,0,1|1,0,0]=3 3395 B12R0.268 CC(C)CCCSCCCC(=O)N 62a_100102525003_100011214892 [1,0,0,0,0,1|1,0,0]=3 3396 B12R0.268 CC(C)CCCSCCCC(C)O 62a_100011214892_200000718107 [1,0,0,0,0,1|1,0,1]=4 3397 B12R0.268 CC(C)CCCSCCCC(C)O 62a_200000718107_100011214892 [1,0,0,0,0,1|1,0,1]=4 3398 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_100011214892_200000034859 [1,0,0,0,0,1|2,0,0]=4 3399 B12R0.268 CC(C)CCCSCCNC(=O)N 62a_200000034859_100011214892 [1,0,0,0,0,1|2,0,0]=4 3400 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_100011214892_200011214921 [1,0,0,0,0,1|2,0,0]=4 3401 B12R0.268 CC(C)CCCSCCOC(=O)N 62a_200011214921_100011214892 [1,0,0,0,0,1|2,0,0]=4 3402 B12R0.268 CC(C)CCNCCCCC(=O)N 269862a_100000696515_100000185833 [1,0,0,0,0,1|1,0,0]=3 3403 B12R0.268 CC(C)CCNCCCCC(=O)N 34a_100000696515_100000210312 [1,0,0,0,0,1|1,0,0]=3 3404 B12R0.268 CC(C)CCNCCOCC(=O)O 269956a_100000700818_100000210312 [1,0,0,0,0,1|1,0,0]=3 3405 B12R0.268 CC(C)CCOCCCCB(O)O 34a_100000210254_200009817182 [1,0,0,0,0,1|1,0,1]=4 3406 B12R0.268 CC(C)CCOCCCCB(O)O 7a_100000210254_200009817182 [1,0,0,0,0,1|1,0,1]=4 3407 B12R0.268 CC(C)CCOCCCCC(=O)N 34a_100012022536_100000210312 [1,0,0,0,0,1|1,0,0]=3 3408 B12R0.268 CC(C)CCOCCCCC(=O)N 7a_100012022536_100000210626 [1,0,0,0,0,1|1,0,0]=3 3409 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 34a_200015379883_100000210312 [1,0,0,0,0,1|1,0,1]=4 3410 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 7a_200015379883_100000210626 [1,0,0,0,0,1|1,0,1]=4 3411 B12R0.268 CC(C)CCOCCOCC(=O)N 34a_100000210254_100000076697 [1,0,0,0,0,1|2,0,0]=4 3412 B12R0.268 CC(C)CCOCCOCC(=O)N 7a_100000210254_100000076697 [1,0,0,0,0,1|2,0,0]=4 3413 B12R0.268 CC(C)CCSCCCCB(O)O 62a_100000210312_200009817182 [1,0,0,0,0,1|1,0,1]=4 3414 B12R0.268 CC(C)CCSCCCCB(O)O 62a_200009817182_100000210312 [1,0,0,0,0,1|1,0,1]=4 3415 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000076697_100000210312 [1,0,0,0,0,1|2,0,0]=4 3416 B12R0.268 CC(C)CCSCCOCC(=O)N 62a_100000210312_100000076697 [1,0,0,0,0,1|2,0,0]=4 3417 B12R0.268 CC(C)CNCCCCCB(O)O 2230a_100000210953_200009817188 [1,0,0,0,0,1|1,0,1]=4 3418 B12R0.268 CC(C)CNCCCCCB(O)O 34a_100000210953_200009817188 [1,0,0,0,0,1|1,0,1]=4 3419 B12R0.268 CC(C)CNCCCCCC(=O)N 2230a_100000210953_100009817443 [1,0,0,0,0,1|1,0,0]=3 3420 B12R0.268 CC(C)CNCCCCCC(=O)N 34a_100000210953_100009817443 [1,0,0,0,0,1|1,0,0]=3 3421 B12R0.268 CC(C)CNCCOCCC(=O)N 34a_100015185251_100000731001 [1,0,0,0,0,1|2,0,0]=4 3422 B12R0.268 CC(C)COCCCCCB(O)O 34a_100000210257_200009817188 [1,0,0,0,0,1|1,0,1]=4 3423 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000123541_100000210624 [1,0,0,0,0,1|1,0,0]=3 3424 B12R0.268 CC(C)COCCCCCC(=O)N 34a_100000210257_100009817443 [1,0,0,0,0,1|1,0,0]=3 3425 B12R0.268 CC(C)COCCCCCC(=O)N 7a_100000123541_100000210760 [1,0,0,0,0,1|1,0,0]=3 3426 B12R0.268 CC(C)COCCCCCC(=O)[O-] 7a_100102619762_100000210760 [1,0,0,0,0,1|0,0,1]=3 3427 B12R0.268 CC(C)COCCCNCC(=O)N 2230a_100000205972_100000747473 [1,0,0,0,0,1|2,0,0]=4 3428 B12R0.268 CC(C)COCCCNCC(=O)N 34a_100000205972_100000187820 [1,0,0,0,0,1|2,0,0]=4 3429 B12R0.268 CC(C)COCCCNCC(=O)[O-] 34a_100000205972_100020667443 [1,0,0,0,0,1|1,0,1]=4 3430 B12R0.268 CC(C)COCCOCCC(=O)N 34a_100000703358_100000731001 [1,0,0,0,0,1|2,0,0]=4 3431 B12R0.268 CC(C)COCCOCCC(=O)N 7a_100000703358_100000744528 [1,0,0,0,0,1|2,0,0]=4 3432 B12R0.268 CC(C)CSCCCCCB(O)O 62a_100000210624_200009817188 [1,0,0,0,0,1|1,0,1]=4 3433 B12R0.268 CC(C)CSCCCCCB(O)O 62a_200009817188_100000210760 [1,0,0,0,0,1|1,0,1]=4 3434 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100000210624_100009817443 [1,0,0,0,0,1|1,0,0]=3 3435 B12R0.268 CC(C)CSCCCCCC(=O)N 62a_100009817443_100000210760 [1,0,0,0,0,1|1,0,0]=3 3436 B12R0.268 CC(C)CSCCOCCC(=O)N 34a_200000230437_100000731001 [1,0,0,0,0,1|2,0,0]=4 3437 B12R0.268 CC(C)CSCCOCCC(=O)N 7a_200000230437_100000744528 [1,0,0,0,0,1|2,0,0]=4 3438 B12R0.268 CC(C)NCCCCCCB(O)O 2230a_100138425928_100009817187 [1,0,0,0,0,1|1,0,1]=4 3439 B12R0.268 CC(C)NCCCCCCB(O)O 34a_100138425928_100009817187 [1,0,0,0,0,1|1,0,1]=4 3440 B12R0.268 CC(C)NCCCCOCC(=O)N 34a_100011521146_100000187820 [1,0,0,0,0,1|2,0,0]=4 3441 B12R0.268 CC(C)NCCCCOCC(=O)[O-] 34a_100011521146_100020667443 [1,0,0,0,0,1|1,0,1]=4 3442 B12R0.268 CC(C)NCCCOCCC(=O)N 34a_100000182298_100000731001 [1,0,0,0,0,1|2,0,0]=4 3443 B12R0.268 CC(C)NCCOCCCC(=O)N 34a_100000224655_100102525003 [1,0,0,0,0,1|2,0,0]=4 3444 B12R0.268 CC(C)OCCCCCCB(O)O 34a_100000212225_100009817187 [1,0,0,0,0,1|1,0,1]=4 3445 B12R0.268 CC(C)OCCCNCCC(=O)N 2230a_100000737246_100000744528 [1,0,0,0,0,1|2,0,0]=4 3446 B12R0.268 CC(C)OCCCNCCC(=O)N 34a_100000737246_100000731001 [1,0,0,0,0,1|2,0,0]=4 3447 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000701111_100102525003 [1,0,0,0,0,1|2,0,0]=4 3448 B12R0.268 CC(C)OCCNCCCC(=O)N 34a_100000739312_100000211751 [1,0,0,0,0,1|2,0,0]=4 3449 B12R0.268 CC(C)OCCOCCCC(=O)N 34a_100000211219_100102525003 [1,0,0,0,0,1|2,0,0]=4 3450 B12R0.268 CC(C)OCCOCCCC(=O)N 7a_100000211219_100102525003 [1,0,0,0,0,1|2,0,0]=4 3451 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100000211751_100102525003 [1,0,0,0,0,1|2,0,0]=4 3452 B12R0.268 CC(C)OCCSCCCC(=O)N 62a_100102525003_100000211751 [1,0,0,0,0,1|2,0,0]=4 3453 B12R0.268 CC(C)OCNCCCCC(=O)N 34a_100000696515_100000709892 [1,0,0,0,0,1|2,0,0]=4 3454 B12R0.268 CC(C)OCNCCOCC(=O)O 269956a_100000700818_100000709892 [1,0,0,0,0,1|2,0,0]=4 3455 B12R0.268 CC(C)OCOCCCCC(=O)N 34a_100012022536_100000709892 [1,0,0,0,0,1|2,0,0]=4 3456 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100000210206_100009817187 [1,0,0,0,0,1|1,0,1]=4 3457 B12R0.268 CC(C)SCCCCCCB(O)O 62a_100009817187_100000210206 [1,0,0,0,0,1|1,0,1]=4 3458 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000731138_100102525003 [1,0,0,0,0,1|2,0,0]=4 3459 B12R0.268 CC(C)SCCNCCCC(=O)N 34a_100000739312_100000730970 [1,0,0,0,0,1|2,0,0]=4 3460 B12R0.268 CC(C)SCCOCCCC(=O)N 34a_200011212901_100102525003 [1,0,0,0,0,1|2,0,0]=4 3461 B12R0.268 CC(C)SCCOCCCC(=O)N 7a_200011212901_100102525003 [1,0,0,0,0,1|2,0,0]=4 3462 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100000730970_100102525003 [1,0,0,0,0,1|2,0,0]=4 3463 B12R0.268 CC(C)SCCSCCCC(=O)N 62a_100102525003_100000730970 [1,0,0,0,0,1|2,0,0]=4 3464 B12R0.268 CC(F)COCCCCCC(=O)N 34a_100015925927_100009817443 [1,0,0,0,0,1|2,0,0]=4 3465 B12R0.268 CC(O)CCCNCCCC(=O)N 34a_100000739312_200000718107 [1,0,0,0,0,1|2,0,0]=4 3466 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_100102525003_200000718107 [1,0,0,0,0,1|2,0,0]=4 3467 B12R0.268 CC(O)CCCSCCCC(=O)N 62a_200000718107_100102525003 [1,0,0,0,0,1|2,0,0]=4 3468 B12R0.268 CC(O)CCNCCCCC(=O)N 34a_100000696515_100012276601 [1,0,0,0,0,1|2,0,0]=4 3469 B12R0.268 CC(O)CCNCCOCC(=O)O 269956a_100000700818_100012276601 [1,0,0,0,0,1|2,0,0]=4 3470 B12R0.268 CC(O)CCOCCCCC(=O)N 34a_100012022536_100012276601 [1,0,0,0,0,1|2,0,0]=4 3471 B12R0.268 CC(O)CCOCCCCC(=O)N 7a_100012022536_100012276601 [1,0,0,0,0,1|2,0,0]=4 3472 B12R0.268 CC(O)CNCCCCCC(=O)N 2230a_100000210904_100009817443 [1,0,0,0,0,1|2,0,0]=4 3473 B12R0.268 CC(O)CNCCCCCC(=O)N 34a_100000210904_100009817443 [1,0,0,0,0,1|2,0,0]=4 3474 B12R0.268 CC(O)COCCCCCC(=O)N 34a_100000123541_100011218427 [1,0,0,0,0,1|2,0,0]=4 3475 B12R0.268 CC(O)COCCCCCC(=O)N 7a_100000123541_100011218427 [1,0,0,0,0,1|2,0,0]=4 3476 B12R0.268 CC(O)COCCCCCC(=O)[O-] 7a_100102619762_100011218427 [1,0,0,0,0,1|1,0,1]=4 3477 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100009817443_100011218427 [1,0,0,0,0,1|2,0,0]=4 3478 B12R0.268 CC(O)CSCCCCCC(=O)N 62a_100011218427_100009817443 [1,0,0,0,0,1|2,0,0]=4 3479 B12R0.268 CN(C)CCCCNOCC(=O)O 269956a_100000106656_100000690147 [1,0,0,0,0,1|2,0,0]=4 3480 B12R0.268 CN(C)CCCCSCCC(=O)N 62a_100000744528_100000690147 [1,0,0,0,0,1|2,0,0]=4 3481 B12R0.268 CN(C)CCCSCCCC(=O)N 62a_100102525003_100000757444 [1,0,0,0,0,1|2,0,0]=4 3482 B12R0.268 CN(C)CCNCCOCC(=O)O 269956a_100000700818_100000755713 [1,0,0,0,0,1|2,0,0]=4 3483 B12R0.268 CN(C)CCOCCCCC(=O)N 7a_100012022536_100000755713 [1,0,0,0,0,1|2,0,0]=4 3484 B12R0.268 C[C@@H](Cl)COCCCCCC(=O)N 34a_100016084084_100009817443 [1,0,0,0,0,1|2,0,0]=4 3485 B12R0.268 C[C@@H](N)COCCCCCC(=O)N 34a_100000737577_100009817443 [1,0,0,0,0,1|2,0,0]=4 3486 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 34a_100000123541_100009817552 [1,0,0,0,0,1|2,0,0]=4 3487 B12R0.268 C[C@@H](O)COCCCCCC(=O)N 7a_100000123541_100009817552 [1,0,0,0,0,1|2,0,0]=4 3488 B12R0.268 C[C@@H](O)COCCCCCC(=O)[O-] 7a_100102619762_100009817552 [1,0,0,0,0,1|1,0,1]=4 3489 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817443_100009817552 [1,0,0,0,0,1|2,0,0]=4 3490 B12R0.268 C[C@@H](O)CSCCCCCC(=O)N 62a_100009817552_100009817443 [1,0,0,0,0,1|2,0,0]=4 3491 B12R0.95 C=CCCC(C)NCCCC(C)C 270004a_200000737386_100000762624 [1,0,0,0,0,1|1,0,0]=3 3492 B12R0.95 C=CCCC(C)NCCCN(C)C 270004a_102531767803_100000762624 [1,0,0,0,0,1|2,0,0]=4 3493 B12R0.95 C=CCCC(C)NCCOC(C)C 270004a_100000701111_100000762624 [1,0,0,0,0,1|2,0,0]=4 3494 B12R0.95 C=CCCC(C)NCCSC(C)C 270004a_100000731138_100000762624 [1,0,0,0,0,1|2,0,0]=4 3495 B12R0.95 C=CCCC(C)OCCCC(C)C 34a_100000765329_100011214892 [1,0,0,0,0,1|1,0,0]=3 3496 B12R0.95 C=CCCC(C)OCCCC(C)C 7a_100000765329_100011214892 [1,0,0,0,0,1|1,0,0]=3 3497 B12R0.95 C=CCCC(C)OCCCC(C)O 34a_100000765329_200000718107 [1,0,0,0,0,1|2,0,0]=4 3498 B12R0.95 C=CCCC(C)OCCCC(C)O 7a_100000765329_200000718107 [1,0,0,0,0,1|2,0,0]=4 3499 B12R0.95 C=CCCC(C)OCCCN(C)C 7a_100000765329_100000757444 [1,0,0,0,0,1|2,0,0]=4 3500 B12R0.95 C=CCCC(C)OCCOC(C)C 34a_100000765329_100000211751 [1,0,0,0,0,1|2,0,0]=4 3501 B12R0.95 C=CCCC(C)OCCOC(C)C 7a_100000765329_100000211751 [1,0,0,0,0,1|2,0,0]=4 3502 B12R0.95 C=CCCC(C)OCCSC(C)C 34a_100000765329_100000730970 [1,0,0,0,0,1|2,0,0]=4 3503 B12R0.95 C=CCCC(C)OCCSC(C)C 7a_100000765329_100000730970 [1,0,0,0,0,1|2,0,0]=4 3504 B12R0.95 C=CCCN(C)CCCCC(C)C 2230a_100020639649_100011216152 [1,0,0,0,0,1|2,0,0]=4 3505 B12R0.95 C=CCCN(C)CCCCC(C)C 269982a_100020639649_100011216152 [1,0,0,0,0,1|2,0,0]=4 3506 B12R0.95 C=CCNC(C)CCOCC(C)C 270004a_100020586998_200011216429 [1,0,0,0,0,1|2,0,0]=4 3507 B12R0.95 CC(C)CCCCN(C)CCCO 2230a_100000213112_100011216152 [1,0,0,0,0,1|1,0,1]=4 3508 B12R0.95 CC(C)CCCCN(C)CCCO 269982a_100000213112_100011216152 [1,0,0,0,0,1|1,0,1]=4 3509 B12R0.95 CC(C)CCCOC(C)CCCCl 34a_200000718107_100011214892 [1,0,0,0,0,1|1,0,1]=4 3510 B12R0.95 CC(C)CCCOC(C)CCCCl 7a_200000718107_100011214892 [1,0,0,0,0,1|1,0,1]=4 3511 B12R0.95 CC(C)CCNC[C@H](C)CCCO 2230a_100160569302_100000210312 [1,0,0,0,0,1|0,0,1]=3 3512 B12R0.95 CC(C)CCNC[C@H](C)CCCO 269862a_100160569302_100000185833 [1,0,0,0,0,1|0,0,1]=3 3513 B12R0.95 CC(C)CCNC[C@H](C)CCCO 34a_100160569302_100000210312 [1,0,0,0,0,1|0,0,1]=3 3514 B12R0.95 CC(C)COCCC(C)NCCO 270004a_100000210304_200011216429 [1,0,0,0,0,1|1,0,1]=4 3515 B12R0.95 CC(C)OCNC[C@H](C)CCCO 2230a_100160569302_100000709892 [1,0,0,0,0,1|1,0,1]=4 3516 B12R0.95 CC(C)OCNC[C@H](C)CCCO 34a_100160569302_100000709892 [1,0,0,0,0,1|1,0,1]=4 3517 B12R0.95 CC(O)CCNC[C@H](C)CCCO 2230a_100160569302_100012276601 [1,0,0,0,0,1|1,0,1]=4 3518 B12R0.95 CC(O)CCNC[C@H](C)CCCO 34a_100160569302_100012276601 [1,0,0,0,0,1|1,0,1]=4 3519 B12R0.95 CCCCC(C)COCCC(C)C 34a_100011995851_100000210312 [1,0,0,0,0,1|1,0,1]=4 3520 B12R0.95 CCCCC(C)COCCC(C)C 7a_100011995851_100000210626 [1,0,0,0,0,1|1,0,1]=4 3521 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_100000126638_100011214892 [1,0,0,0,0,1|1,0,1]=4 3522 B12R0.95 CCCCC(C)NCCCC(C)C 2230a_200000737386_200011215066 [1,0,0,0,0,1|1,0,1]=4 3523 B12R0.95 CCCCC(C)NCCCC(C)C 270004a_200000737386_100000210087 [1,0,0,0,0,1|1,0,1]=4 3524 B12R0.95 CCCCC(C)NCCCC(C)C 34a_200000737386_200011215066 [1,0,0,0,0,1|1,0,1]=4 3525 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000210774_200011215066 [1,0,0,0,0,1|1,0,1]=4 3526 B12R0.95 CCCCC(C)OCCCC(C)C 34a_100000687866_100011214892 [1,0,0,0,0,1|1,0,1]=4 3527 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000210774_200011215066 [1,0,0,0,0,1|1,0,1]=4 3528 B12R0.95 CCCCC(C)OCCCC(C)C 7a_100000687866_100011214892 [1,0,0,0,0,1|1,0,1]=4 3529 B12R0.95 CCCCC(C)SCCCC(C)C 62a_100011214892_200011215066 [1,0,0,0,0,1|1,0,1]=4 3530 B12R0.95 CCCCC(C)SCCCC(C)C 62a_200011215066_100011214892 [1,0,0,0,0,1|1,0,1]=4 3531 B12R0.95 COCCC(C)NCCCC(C)C 270004a_200000737386_100000742357 [1,0,0,0,0,1|2,0,0]=4 3532 B12R0.95 CSCCC(C)NCCCC(C)C 270004a_200000737386_100011217047 [1,0,0,0,0,1|2,0,0]=4 3533 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 2230a_100000210953_100009814015 [0,0,0,0,0,2|2,0,0]=4 3534 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 269862a_100000210953_100000212096 [0,0,0,0,0,2|2,0,0]=4 3535 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 270004a_100000210953_100000212096 [0,0,0,0,0,2|2,0,0]=4 3536 B14R0.67 CC(=CCCC(C)CCNCC(C)C)C 34a_100000210953_100009814015 [0,0,0,0,0,2|2,0,0]=4 3537 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 34a_100000017536_100000210624 [0,0,0,0,0,2|2,0,0]=4 3538 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 34a_100000210257_100009814015 [0,0,0,0,0,2|2,0,0]=4 3539 B14R0.67 CC(=CCCC(C)CCOCC(C)C)C 7a_100000017536_100000210760 [0,0,0,0,0,2|2,0,0]=4 3540 B14R0.67 CC(=CCCC(C)CNCCC(C)C)C 270004a_100000210545_100000033009 [0,0,0,0,0,2|2,0,0]=4 3541 B14R0.67 CC(=CCCC(C)NCCCC(C)C)C 270004a_200000737386_100000765506 [0,0,0,0,0,2|2,0,0]=4 3542 B14R0.67 CC(=CCCC(C)OCCCC(C)C)C 34a_100102619829_100011214892 [0,0,0,0,0,2|2,0,0]=4 3543 B14R0.67 CC(=CCCC(C)OCCCC(C)C)C 7a_100102619829_100011214892 [0,0,0,0,0,2|2,0,0]=4 3544 B14R0.67 CC(C)CCCCN(C)CCCC(=O)O 269956a_100000719178_100011216152 [0,0,0,0,0,2|1,0,0]=3 3545 B14R0.67 CC(C)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_100011214892 [0,0,0,0,0,2|0,0,1]=3 3546 B14R0.67 CC(C)COCCC(C)NCCC(C)O 270004a_200000755665_200011216429 [0,0,0,0,0,2|1,0,1]=4 3547 B14R0.67 CC(C)OCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000211751 [0,0,0,0,0,2|1,0,1]=4 3548 B14R0.67 CC(CCCC(=O)[O-])OCCCN(C)C 7a_100000761597_100000757444 [0,0,0,0,0,2|1,0,1]=4 3549 B14R0.67 CC(CCCC(=O)[O-])OCCSC(C)C 7a_100000761597_100000730970 [0,0,0,0,0,2|1,0,1]=4 3550 B14R0.67 CC(O)CCCOC(C)CCCC(=O)[O-] 7a_100000761597_200000718107 [0,0,0,0,0,2|1,0,1]=4 3551 B14R0.67 CN(C)CCCCN(C)CCCC(=O)O 269956a_100000719178_100000690147 [0,0,0,0,0,2|2,0,0]=4 3552 B14R0.551 C=C(C)CCC(C)NCCCOC(C)C 270004a_100000737246_100011215600 [0,0,0,0,0,2|2,0,0]=4 3553 B14R0.551 CC(=O)OCC(C)NCCCOC(C)C 270004a_100000737246_100000000629 [0,0,0,0,0,2|2,0,0]=4 3554 B14R0.551 CC(=O)SCC(C)CNCCCC(C)C 2230a_200000737386_200000116872 [0,0,0,0,0,2|2,0,0]=4 3555 B14R0.551 CC(=O)SCC(C)CNCCCC(C)C 34a_200000737386_200000116872 [0,0,0,0,0,2|2,0,0]=4 3556 B14R0.551 CC(=O)SCC(C)CNCCOC(C)C 2230a_100000701111_200000116872 [0,0,0,0,0,2|2,0,0]=4 3557 B14R0.551 CC(=O)SCC(C)CNCCOC(C)C 34a_100000701111_200000116872 [0,0,0,0,0,2|2,0,0]=4 3558 B14R0.551 CC(=O)SCC(C)CNCCSC(C)C 2230a_100000731138_200000116872 [0,0,0,0,0,2|2,0,0]=4 3559 B14R0.551 CC(=O)SCC(C)CNCCSC(C)C 34a_100000731138_200000116872 [0,0,0,0,0,2|2,0,0]=4 3560 B14R0.551 CC(=O)SCC(C)COCCCC(C)C 34a_100000210774_200000116872 [0,0,0,0,0,2|2,0,0]=4 3561 B14R0.551 CC(=O)SCC(C)COCCCC(C)C 7a_100000210774_200000116872 [0,0,0,0,0,2|2,0,0]=4 3562 B14R0.551 CC(=O)SCC(C)COCCNC(C)C 34a_100000224655_200000116872 [0,0,0,0,0,2|2,0,0]=4 3563 B14R0.551 CC(=O)SCC(C)COCCOC(C)C 34a_100000211219_200000116872 [0,0,0,0,0,2|2,0,0]=4 3564 B14R0.551 CC(=O)SCC(C)COCCOC(C)C 7a_100000211219_200000116872 [0,0,0,0,0,2|2,0,0]=4 3565 B14R0.551 CC(=O)SCC(C)COCCSC(C)C 34a_200011212901_200000116872 [0,0,0,0,0,2|2,0,0]=4 3566 B14R0.551 CC(=O)SCC(C)COCCSC(C)C 7a_200011212901_200000116872 [0,0,0,0,0,2|2,0,0]=4 3567 B14R0.551 CC(=O)SCC(C)CSCCCC(C)C 62a_100011214892_200000116872 [0,0,0,0,0,2|2,0,0]=4 3568 B14R0.551 CC(=O)SCC(C)CSCCCC(C)C 62a_200000116872_100011214892 [0,0,0,0,0,2|2,0,0]=4 3569 B14R0.551 CC(=O)SCC(C)CSCCOC(C)C 62a_100000211751_200000116872 [0,0,0,0,0,2|2,0,0]=4 3570 B14R0.551 CC(=O)SCC(C)CSCCOC(C)C 62a_200000116872_100000211751 [0,0,0,0,0,2|2,0,0]=4 3571 B14R0.551 CC(=O)SCC(C)CSCCSC(C)C 62a_100000730970_200000116872 [0,0,0,0,0,2|2,0,0]=4 3572 B14R0.551 CC(=O)SCC(C)CSCCSC(C)C 62a_200000116872_100000730970 [0,0,0,0,0,2|2,0,0]=4 3573 B14R0.551 CC(C)CCCCCN(C)CCC(=O)N 2230a_100000730477_100000210682 [0,0,0,0,0,2|2,0,0]=4