0 B11R0.6 C=C(C)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000748629 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.6 C=C(C)CC(=O)C=CCN(C)C 1458a_100000754359_100000748629 [0,0,0,0,0,0|3,0,1]=4 2 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.6 C=C(C)CC(=O)COCC(C)C 1458a_100011223364_100000748629 [0,0,0,0,0,0|3,0,0]=3 4 B11R0.6 C=C(C)CN(C)CCCC(C)C 2230a_100000225649_100011214892 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.6 C=C(C)CN(C)CCCC(C)C 269982a_100000225649_100011214892 [0,0,0,0,0,0|4,0,0]=4 6 B11R0.6 C=C(F)CC(=O)CCCC(C)C 1458a_100011216857_100009893438 [0,0,0,0,0,0|2,0,1]=3 7 B11R0.6 C=C(F)CC(=O)COCC(C)C 1458a_100011223364_100009893438 [0,0,0,0,0,0|3,0,1]=4 8 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,0,0,0,0,0|2,0,1]=3 9 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,0,0,0,0,0|2,0,1]=3 10 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,0,0,0,0,0|2,0,1]=3 11 B11R0.6 CC(=CC(=O)CCCC(C)O)C 1458a_100000211388_200000718107 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.6 CC(=CC(=O)CCCC(C)O)Cl 1458a_200042562850_200000718107 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.6 CC(=CC(=O)CCCC(C)O)I 1458a_100025716642_200000718107 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.6 CC(=CC(=O)CCCN(C)C)C 1458a_100000211388_100000695564 [0,0,0,0,0,0|3,0,1]=4 15 B11R0.6 CC(=CC(=O)CCCN(C)C)Cl 1458a_200042562850_100000695564 [0,0,0,0,0,0|3,0,1]=4 16 B11R0.6 CC(=CC(=O)CCCN(C)C)I 1458a_100025716642_100000695564 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.6 CC(=CC(=O)CCOC(C)C)C 1458a_100000211388_100000211751 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.6 CC(=CC(=O)CCOC(C)C)Cl 1458a_200042562850_100000211751 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.6 CC(=CC(=O)CCOC(C)C)I 1458a_100025716642_100000211751 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.6 CC(=CC(=O)CCSC(C)C)C 1458a_100000211388_100000730970 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.6 CC(=CC(=O)CCSC(C)C)Cl 1458a_200042562850_100000730970 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.6 CC(=CC(=O)CCSC(C)C)I 1458a_100025716642_100000730970 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.6 CC(=CC(=O)NCCC(C)C)C 11a_100000210545_100000211388 [0,0,0,0,0,0|2,0,1]=3 24 B11R0.6 CC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100000211388 [0,0,0,0,0,0|2,0,1]=3 25 B11R0.6 CC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100000211388 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 11a_100000210545_200042562850 [0,0,0,0,0,0|2,0,1]=3 27 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 1626a_100000210545_200042562850 [0,0,0,0,0,0|2,0,1]=3 28 B11R0.6 CC(=CC(=O)NCCC(C)C)Cl 240690a_100000210545_200042562850 [0,0,0,0,0,0|2,0,1]=3 29 B11R0.6 CC(=CC(=O)NCCC(C)C)I 11a_100000210545_100025716642 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.6 CC(=CC(=O)NCCC(C)C)I 1626a_100000210545_100025716642 [0,0,0,0,0,0|2,0,1]=3 31 B11R0.6 CC(=CC(=O)NCCC(C)O)C 240690a_200000755665_100000211388 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.6 CC(=CC(=O)NCCC(C)O)Cl 240690a_200000755665_200042562850 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.6 CC(=CC(=O)NCCN(C)C)C 240690a_100000210585_100000211388 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.6 CC(=CC(=O)NCCN(C)C)Cl 240690a_100000210585_200042562850 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.6 CC(=CC(=O)NNCC(C)C)C 22a_100000696102_100000211388 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.6 CC(=CC(=O)NNCC(C)C)Cl 22a_100000696102_200042562850 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.6 CC(=CC(C)OCCC(C)C)C 34a_100000717055_100000210312 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.6 CC(=CCCC(=O)CC(=O)N)C 1458a_100134613110_100011217483 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.6 CC(=CCNC(=O)CC(=O)N)C 527a_100000718196_100134613110 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.6 CC(=O)CC(=O)OCCN(C)C 269982a_100102631434_100000102702 [0,0,0,0,0,0|1,0,0]=1 41 B11R0.6 CC(=O)CCCC(=O)CC(=O)N 1458a_100134613110_100011215641 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.6 CC(=O)CCOC(=O)CC(=O)C 1458a_100000070787_100000102702 [0,0,0,0,0,0|1,0,1]=2 43 B11R0.6 CC(=O)CCOC(=O)NC(=O)N 1458a_100000070787_100000054987 [0,0,0,0,0,0|3,0,1]=4 44 B11R0.6 CC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000183797 [0,0,0,0,0,0|3,0,0]=3 45 B11R0.6 CC(=O)NC(=O)CSCC(C)O 62a_100011218427_100000183797 [0,0,0,0,0,0|4,0,0]=4 46 B11R0.6 CC(=O)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000183797 [0,0,0,0,0,0|4,0,0]=4 47 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,0,0,0,0,0|3,0,1]=4 50 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,0,0,0,0,0|3,0,1]=4 51 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [0,0,0,0,0,0|2,1,1]=4 52 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [0,0,0,0,0,0|2,1,1]=4 53 B11R0.6 CC(C)/C=C/CC(=O)CC(=O)N 1458a_100016292215_100000187820 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.6 CC(C)/C=C/CC(=O)CC(=O)[O-] 1458a_100016292215_100020667443 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,0,0,0,0,0|3,0,1]=4 57 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,0,0,0,0,0|3,0,1]=4 61 B11R0.6 CC(C)CC(=O)NCCN(C)C 240690a_100000210585_100000210554 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.6 CC(C)CC(=O)NCCN(C)C 527a_100000210585_100000210554 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.6 CC(C)CCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011214892 [0,0,0,0,0,0|3,0,1]=4 64 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100011216857_100000187820 [0,0,0,0,0,0|2,0,0]=2 65 B11R0.6 CC(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011214892 [0,0,0,0,0,0|2,0,0]=2 66 B11R0.6 CC(C)CCCC(=O)CC(=O)[O-] 1458a_100011216857_100020667443 [0,0,0,0,0,0|2,0,0]=2 67 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,0,0,0,0,0|2,0,1]=3 69 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,0,0,0,0,0|1,0,2]=3 70 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,0,0,0,0,0|3,0,1]=4 71 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,0,0,0,0,0|3,0,0]=3 72 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,0,0,0,0,0|1,0,2]=3 73 B11R0.6 CC(C)CCCC(=O)C[N+](=O)[O-] 1458a_100011216857_100000761209 [0,0,0,0,0,0|3,0,0]=3 74 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,0,0,0,0,0|3,0,0]=3 75 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,0,0,0,0,0|3,0,1]=4 79 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,0,0,0,0,0|4,0,0]=4 80 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,0,0,0,0,0|4,0,0]=4 81 B11R0.6 CC(C)CCNC(=O)C=C(Cl)Cl 1626a_100000210545_100000137448 [0,0,0,0,0,0|3,0,1]=4 82 B11R0.6 CC(C)CCNC(=O)C=C(Cl)Cl 240690a_100000210545_100000137448 [0,0,0,0,0,0|3,0,1]=4 83 B11R0.6 CC(C)CCNC(=O)CC(=O)N 240690a_100000210545_100134613110 [0,0,0,0,0,0|2,0,0]=2 84 B11R0.6 CC(C)CCNC(=O)CC(=O)N 527a_100000210545_100134613110 [0,0,0,0,0,0|2,0,0]=2 85 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,0,0,0,0,0|2,0,1]=3 86 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,0,0,0,0,0|2,0,1]=3 87 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,0,0,0,0,0|2,0,1]=3 88 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,0,0,0,0,0|2,0,1]=3 89 B11R0.6 CC(C)CCNC(=O)CN(C)C 11a_100000210545_100000750896 [0,0,0,0,0,0|3,0,0]=3 90 B11R0.6 CC(C)CCNC(=O)CN(C)C 240690a_100000210545_100000750896 [0,0,0,0,0,0|3,0,0]=3 91 B11R0.6 CC(C)CCNC(=O)CN(C)C 527a_100000210545_100000750896 [0,0,0,0,0,0|3,0,0]=3 92 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,0,0,0,0,0|1,0,2]=3 93 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 11a_100000210545_200159257847 [0,0,0,0,0,0|3,0,0]=3 94 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 1626a_100000210545_200159257847 [0,0,0,0,0,0|3,0,0]=3 95 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 240690a_100000210545_200159257847 [0,0,0,0,0,0|3,0,0]=3 96 B11R0.6 CC(C)CCNC(=O)C[S+](C)C 527a_100000210545_200159257847 [0,0,0,0,0,0|3,0,0]=3 97 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,0,0,0,0,0|3,0,1]=4 98 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000210254_100000731052 [0,0,0,0,0,0|2,0,2]=4 103 B11R0.6 CC(C)CCOC(C)CC(C)C 34a_100000211805_100000210312 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000210254_100000731052 [0,0,0,0,0,0|2,0,2]=4 105 B11R0.6 CC(C)CCOC(C)CC(C)C 7a_100000211805_100000210626 [0,0,0,0,0,0|2,0,2]=4 106 B11R0.6 CC(C)CNCC(=O)NC(=O)N 2230a_100000210953_100000182717 [0,0,0,0,0,0|4,0,0]=4 107 B11R0.6 CC(C)CNNC(=O)CC(=O)N 22a_100000696102_100134613110 [0,0,0,0,0,0|3,0,0]=3 108 B11R0.6 CC(C)CNNC(=O)CC(C)C 22a_100000696102_100000210554 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.6 CC(C)CNNC(=O)CN(C)C 22a_100000696102_100000750896 [0,0,0,0,0,0|4,0,0]=4 110 B11R0.6 CC(C)CNNC(=O)C[C@@H](C)O 22a_100000696102_100011933948 [0,0,0,0,0,0|2,0,2]=4 111 B11R0.6 CC(C)CNNC(=O)C[S+](C)C 22a_100000696102_200159257847 [0,0,0,0,0,0|4,0,0]=4 112 B11R0.6 CC(C)COCC(=O)CC(=O)N 1458a_100011223364_100000187820 [0,0,0,0,0,0|3,0,0]=3 113 B11R0.6 CC(C)COCC(=O)CC(=O)[O-] 1458a_100011223364_100020667443 [0,0,0,0,0,0|3,0,0]=3 114 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,0,0,0,0,0|3,0,1]=4 115 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,0,0,0,0,0|2,0,2]=4 116 B11R0.6 CC(C)COCC(=O)C[N+](=O)[O-] 1458a_100011223364_100000761209 [0,0,0,0,0,0|4,0,0]=4 117 B11R0.6 CC(C)CSCC(=O)NC(=O)N 62a_100000210624_100000182717 [0,0,0,0,0,0|4,0,0]=4 118 B11R0.6 CC(C)NCCC(=O)NC(=O)N 2230a_100138425928_100000237605 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,0,0,0,0,0|3,0,1]=4 120 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.6 CC(C)OCCC(=O)CC(=O)N 1458a_100134613110_100000211751 [0,0,0,0,0,0|3,0,0]=3 122 B11R0.6 CC(C)OCCC(=O)CN(C)C 1458a_100000750896_100000211751 [0,0,0,0,0,0|4,0,0]=4 123 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,0,0,0,0,0|2,0,2]=4 124 B11R0.6 CC(C)OCCC(=O)C[S+](C)C 1458a_200159257847_100000211751 [0,0,0,0,0,0|4,0,0]=4 125 B11R0.6 CC(C)SCCC(=O)CC(=O)N 1458a_100134613110_100000730970 [0,0,0,0,0,0|3,0,0]=3 126 B11R0.6 CC(C)SCCC(=O)CN(C)C 1458a_100000750896_100000730970 [0,0,0,0,0,0|4,0,0]=4 127 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,0,0,0,0,0|2,0,2]=4 128 B11R0.6 CC(C)SCCC(=O)C[S+](C)C 1458a_200159257847_100000730970 [0,0,0,0,0,0|4,0,0]=4 129 B11R0.6 CC(C)SCCC(=O)NC(=O)N 62a_100000210206_100000237605 [0,0,0,0,0,0|4,0,0]=4 130 B11R0.6 CC(O)CCCC(=O)CC(=O)N 1458a_100134613110_200000718107 [0,0,0,0,0,0|3,0,0]=3 131 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,0,0,0,0,0|4,0,0]=4 132 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,0,0,0,0,0|2,0,2]=4 133 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.6 CC(O)CCNC(=O)CC(=O)N 240690a_200000755665_100134613110 [0,0,0,0,0,0|3,0,0]=3 135 B11R0.6 CC(O)CCNC(=O)CC(=O)N 527a_200000755665_100134613110 [0,0,0,0,0,0|3,0,0]=3 136 B11R0.6 CC(O)CCNC(=O)CN(C)C 240690a_200000755665_100000750896 [0,0,0,0,0,0|4,0,0]=4 137 B11R0.6 CC(O)CCNC(=O)CN(C)C 527a_200000755665_100000750896 [0,0,0,0,0,0|4,0,0]=4 138 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,0,0,0,0,0|2,0,2]=4 139 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 240690a_200000755665_200159257847 [0,0,0,0,0,0|4,0,0]=4 140 B11R0.6 CC(O)CCNC(=O)C[S+](C)C 527a_200000755665_200159257847 [0,0,0,0,0,0|4,0,0]=4 141 B11R0.6 CC(O)CNNC(=O)CC(=O)N 22a_200000730056_100134613110 [0,0,0,0,0,0|4,0,0]=4 142 B11R0.6 CN(C)CC=CC(=O)CC(=O)N 1458a_100000754359_100000187820 [0,0,0,0,0,0|3,0,1]=4 143 B11R0.6 CN(C)CC=CC(=O)CC(=O)[O-] 1458a_100000754359_100020667443 [0,0,0,0,0,0|3,0,1]=4 144 B11R0.6 CN(C)CCCC(=O)CC(=O)N 1458a_100134613110_100000695564 [0,0,0,0,0,0|3,0,0]=3 145 B11R0.6 CN(C)CCCC(=O)CN(C)C 1458a_100000750896_100000695564 [0,0,0,0,0,0|4,0,0]=4 146 B11R0.6 CN(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100000695564 [0,0,0,0,0,0|4,0,0]=4 147 B11R0.6 CN(C)CCNC(=O)CC(=O)N 240690a_100000210585_100134613110 [0,0,0,0,0,0|3,0,0]=3 148 B11R0.6 CN(C)CCNC(=O)CC(=O)N 527a_100000210585_100134613110 [0,0,0,0,0,0|3,0,0]=3 149 B11R0.6 CN(C)CCNC(=O)CN(C)C 240690a_100000210585_100000750896 [0,0,0,0,0,0|4,0,0]=4 150 B11R0.6 CN(C)CCNC(=O)CN(C)C 527a_100000210585_100000750896 [0,0,0,0,0,0|4,0,0]=4 151 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 240690a_100000210585_200159257847 [0,0,0,0,0,0|4,0,0]=4 152 B11R0.6 CN(C)CCNC(=O)C[S+](C)C 527a_100000210585_200159257847 [0,0,0,0,0,0|4,0,0]=4 153 B11R0.6 CN(C)CCOC(=O)NC(=O)N 269982a_100102631434_100000054987 [0,0,0,0,0,0|3,0,0]=3 154 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.6 C[C@@H](O)CC(=O)NCCN(C)C 240690a_100000210585_100011933948 [0,0,0,0,0,0|2,0,2]=4 156 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [1,0,0,0,0,0|1,0,2]=4 157 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [1,0,0,0,0,0|1,0,2]=4 158 B10R0.3 C#CCC(=O)NCCC(C)C 1626a_100000210545_100011220946 [1,0,0,0,0,0|1,0,2]=4 159 B10R0.3 C#CCC(=O)NCCC(C)C 527a_100000210545_100011220946 [1,0,0,0,0,0|1,0,2]=4 160 B10R0.3 C/C=C/C(C)OCCC(C)C 34a_200102604097_100000210312 [1,0,0,0,0,0|1,0,2]=4 161 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,0,0,0,0,0|1,0,1]=3 162 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,0,0,0,0,0|1,0,1]=3 163 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [1,0,0,0,0,0|2,0,1]=4 164 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [1,0,0,0,0,0|2,0,1]=4 165 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [1,0,0,0,0,0|2,0,1]=4 166 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [1,0,0,0,0,0|2,0,1]=4 167 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [1,0,0,0,0,0|2,0,1]=4 168 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [1,0,0,0,0,0|1,0,1]=3 169 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [1,0,0,0,0,0|1,0,1]=3 170 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [1,0,0,0,0,0|1,0,1]=3 171 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [1,0,0,0,0,0|1,0,1]=3 172 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [1,0,0,0,0,0|2,0,1]=4 173 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [1,0,0,0,0,0|2,0,1]=4 174 B10R0.3 C=CCC(=O)NCCN(C)C 240690a_100000210585_100000210193 [1,0,0,0,0,0|2,0,1]=4 175 B10R0.3 C=CCC(=O)NCCN(C)C 527a_100000210585_100000210193 [1,0,0,0,0,0|2,0,1]=4 176 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [1,0,0,0,0,0|2,0,1]=4 177 B10R0.3 C=CC[C@@H](C)OCCC(C)C 34a_100000731007_100000210312 [1,0,0,0,0,0|1,0,2]=4 178 B10R0.3 C=CC[C@@H](C)OCCC(C)C 7a_100000731007_100000210626 [1,0,0,0,0,0|1,0,2]=4 179 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [1,0,0,0,0,0|1,0,2]=4 180 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [1,0,0,0,0,0|2,0,1]=4 181 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [1,0,0,0,0,0|2,0,1]=4 183 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [1,0,0,0,0,0|2,0,1]=4 185 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [1,0,0,0,0,0|2,0,1]=4 186 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,0,0,0,0,0|1,0,2]=4 187 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,0,0,0,0,0|1,0,2]=4 188 B10R0.3 CC(C)CCNC(=O)C=CBr 1626a_100000210545_100016273825 [1,0,0,0,0,0|2,0,1]=4 189 B10R0.3 CC(C)CCNC(=O)C=CBr 240690a_100000210545_100016273825 [1,0,0,0,0,0|2,0,1]=4 190 B10R0.3 CC(C)CCNC(=O)C=CCl 11a_100000210545_200016279998 [1,0,0,0,0,0|2,0,1]=4 191 B10R0.3 CC(C)CCNC(=O)C=CCl 1626a_100000210545_200016279998 [1,0,0,0,0,0|2,0,1]=4 192 B10R0.3 CC(C)CCNC(=O)C=CCl 240690a_100000210545_200016279998 [1,0,0,0,0,0|2,0,1]=4 193 B10R0.3 CC(C)CCNC(=O)C=CI 1626a_100000210545_100016256311 [1,0,0,0,0,0|2,0,1]=4 194 B10R0.3 CC(C)CCNC(=O)CC#N 1626a_100000210545_100051588842 [1,0,0,0,0,0|2,0,1]=4 195 B10R0.3 CC(C)CCNC(=O)CC#N 240690a_100000210545_100051588842 [1,0,0,0,0,0|2,0,1]=4 196 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [1,0,0,0,0,0|1,0,2]=4 197 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,0,0,0,0,0|1,0,1]=3 198 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,0,0,0,0,0|2,0,1]=4 199 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [1,0,0,0,0,0|2,0,1]=4 200 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [1,0,0,0,0,0|2,0,1]=4 201 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [1,0,0,0,0,0|2,0,1]=4 202 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [1,0,0,0,0,0|1,0,1]=3 203 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [1,0,0,0,0,0|1,0,1]=3 204 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [1,0,0,0,0,0|1,0,1]=3 205 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [1,0,0,0,0,0|2,0,1]=4 206 B10R0.3 CC=CC(=O)NCCN(C)C 240690a_100000210585_100000210699 [1,0,0,0,0,0|2,0,1]=4 207 B10R0.3 CC=CC(=O)NNCC(C)C 22a_100000696102_100000210699 [1,0,0,0,0,0|2,0,1]=4 208 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,0,0,0,0,0|1,0,1]=3 209 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,0,0,0,0,0|1,0,1]=3 210 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,0,0,0,0,0|2,0,1]=4 211 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [1,0,0,0,0,0|2,0,1]=4 212 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,0,0,0,0,0|2,0,1]=4 213 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,0,0,0,0,0|2,0,1]=4 214 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,0,0,0,0,0|2,0,1]=4 215 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,0,0,0,0,0|2,0,1]=4 216 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,0,0,0,0,0|2,0,1]=4 217 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,0,0,0,0,0|2,0,1]=4 218 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [1,0,0,0,0,0|1,0,1]=3 219 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [1,0,0,0,0,0|1,0,1]=3 220 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [1,0,0,0,0,0|1,0,1]=3 221 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [1,0,0,0,0,0|1,0,1]=3 222 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [1,0,0,0,0,0|2,0,1]=4 223 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [1,0,0,0,0,0|2,0,1]=4 224 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [1,0,0,0,0,0|2,0,1]=4 225 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [1,0,0,0,0,0|2,0,1]=4 226 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [1,0,0,0,0,0|2,0,1]=4 227 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [1,0,0,0,0,0|1,0,1]=3 228 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [1,0,0,0,0,0|1,0,1]=3 229 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [1,0,0,0,0,0|1,0,1]=3 230 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [1,0,0,0,0,0|1,0,1]=3 231 B10R0.3 CCCC(C)OCCC(C)C 34a_100000210254_100000766640 [1,0,0,0,0,0|1,0,2]=4 232 B10R0.3 CCCC(C)OCCC(C)C 34a_100000764384_100000210312 [1,0,0,0,0,0|1,0,2]=4 233 B10R0.3 CCCC(C)OCCC(C)C 7a_100000210254_100000766640 [1,0,0,0,0,0|1,0,2]=4 234 B10R0.3 CCCC(C)OCCC(C)C 7a_100000764384_100000210626 [1,0,0,0,0,0|1,0,2]=4 235 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,0,0,0,0,0|2,0,1]=4 236 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,0,0,0,0,0|2,0,1]=4 237 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,0,0,0,0,0|2,0,1]=4 238 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [1,0,0,0,0,0|2,0,1]=4 239 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [1,0,0,0,0,0|2,0,1]=4 240 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [1,0,0,0,0,0|2,0,1]=4 241 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [1,0,0,0,0,0|2,0,1]=4 242 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [1,0,0,0,0,0|2,0,1]=4 243 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [1,0,0,0,0,0|2,0,1]=4 244 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [1,0,0,0,0,0|2,0,1]=4 245 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [1,0,0,0,0,0|3,0,0]=4 246 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [1,0,0,0,0,0|3,0,0]=4 248 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [1,0,0,0,0,0|3,0,0]=4 249 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,0,0,0,0,0|2,0,0]=3 250 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [1,0,0,0,0,0|3,0,0]=4 253 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [1,0,0,0,0,0|2,0,0]=3 255 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [1,0,0,0,0,0|2,0,0]=3 256 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [1,0,0,0,0,0|2,0,0]=3 257 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [1,0,0,0,0,0|2,0,0]=3 258 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [1,0,0,0,0,0|3,0,0]=4 259 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [1,0,0,0,0,0|3,0,0]=4 260 B10R0.3 COCC(=O)NCCN(C)C 240690a_100000210585_100000210968 [1,0,0,0,0,0|3,0,0]=4 261 B10R0.3 COCC(=O)NCCN(C)C 527a_100000210585_100000210968 [1,0,0,0,0,0|3,0,0]=4 262 B10R0.3 COCC(=O)NNCC(C)C 22a_100000696102_100000210968 [1,0,0,0,0,0|3,0,0]=4 263 B10R0.3 COCC(C)OCCC(C)C 34a_100000210254_100000765312 [1,0,0,0,0,0|2,0,1]=4 264 B10R0.3 COCC(C)OCCC(C)C 7a_100000210254_100000765312 [1,0,0,0,0,0|2,0,1]=4 265 B10R0.3 COC[C@@H](C)OCCC(C)C 34a_100011934205_100000210312 [1,0,0,0,0,0|2,0,1]=4 266 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,0,0,0,0,0|2,0,0]=3 267 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,0,0,0,0,0|3,0,0]=4 268 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [1,0,0,0,0,0|3,0,0]=4 269 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [1,0,0,0,0,0|3,0,0]=4 270 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [1,0,0,0,0,0|3,0,0]=4 271 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [1,0,0,0,0,0|2,0,0]=3 272 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [1,0,0,0,0,0|2,0,0]=3 273 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [1,0,0,0,0,0|2,0,0]=3 274 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [1,0,0,0,0,0|2,0,0]=3 275 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [1,0,0,0,0,0|3,0,0]=4 276 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [1,0,0,0,0,0|3,0,0]=4 277 B10R0.3 CSCC(=O)NCCN(C)C 240690a_100000210585_100000184570 [1,0,0,0,0,0|3,0,0]=4 278 B10R0.3 CSCC(=O)NCCN(C)C 527a_100000210585_100000184570 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.3 CSCC(=O)NNCC(C)C 22a_100000696102_100000184570 [1,0,0,0,0,0|3,0,0]=4 280 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [1,0,0,0,0,0|2,0,1]=4 281 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [1,0,0,0,0,0|2,0,1]=4 282 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,0,0,0,0,0|2,0,0]=3 283 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [1,0,0,0,0,0|3,0,0]=4 285 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [1,0,0,0,0,0|3,0,0]=4 287 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [1,0,0,0,0,0|3,0,0]=4 290 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [1,0,0,0,0,0|2,0,1]=4 291 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [1,0,0,0,0,0|1,0,0]=2 292 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [1,0,0,0,0,0|1,0,0]=2 293 B10R0.6 CCCC#CC(=O)CC(=O)N 1458a_200011218047_100000187820 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.6 CCCC#CC(=O)CC(=O)[O-] 1458a_200011218047_100020667443 [1,0,0,0,0,0|2,0,1]=4 295 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [1,0,0,0,0,0|2,0,1]=4 296 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [1,0,0,0,0,0|2,0,1]=4 297 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,0,0,0,0,0|2,0,1]=4 298 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,0,0,0,0,0|2,0,1]=4 299 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,0,0,0,0,0|2,0,1]=4 300 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,0,0,0,0,0|1,0,0]=2 301 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,0,0,0,0,0|2,0,0]=3 302 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,0,0,0,0,0|2,0,0]=3 303 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,0,0,0,0,0|2,0,0]=3 304 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,0,0,0,0,0|2,0,1]=4 305 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,0,0,0,0,0|2,0,1]=4 306 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,0,0,0,0,0|1,0,2]=4 307 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,0,0,0,0,0|3,0,0]=4 308 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,0,0,0,0,0|3,0,0]=4 309 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,0,0,0,0,0|3,0,0]=4 310 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,0,0,0,0,0|1,0,2]=4 311 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [1,0,0,0,0,0|3,0,0]=4 312 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,0,0,0,0,0|3,0,0]=4 313 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [1,0,0,0,0,0|2,0,1]=4 314 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [1,0,0,0,0,0|2,0,1]=4 316 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [1,0,0,0,0,0|2,0,1]=4 317 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [1,0,0,0,0,0|2,0,1]=4 318 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,0,0,0,0,0|1,0,0]=2 322 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [1,0,0,0,0,0|2,0,0]=3 323 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [1,0,0,0,0,0|2,0,0]=3 324 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [1,0,0,0,0,0|2,0,1]=4 325 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [1,0,0,0,0,0|2,0,1]=4 326 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [1,0,0,0,0,0|2,0,1]=4 327 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [1,0,0,0,0,0|2,0,1]=4 328 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [1,0,0,0,0,0|3,0,0]=4 329 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [1,0,0,0,0,0|3,0,0]=4 330 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [1,0,0,0,0,0|3,0,0]=4 331 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [1,0,0,0,0,0|3,0,0]=4 332 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [1,0,0,0,0,0|3,0,0]=4 333 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [1,0,0,0,0,0|3,0,0]=4 334 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [1,0,0,0,0,0|3,0,0]=4 335 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [1,0,0,0,0,0|3,0,0]=4 336 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [1,0,0,0,0,0|3,0,0]=4 337 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,0,0,0,0,0|1,0,2]=4 338 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [1,0,0,0,0,0|3,0,0]=4 339 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [1,0,0,0,0,0|3,0,0]=4 340 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [1,0,0,0,0,0|3,0,0]=4 341 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [1,0,0,0,0,0|3,0,0]=4 342 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,0,0,0,0,0|0,0,0]=1 343 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [1,0,0,0,0,0|2,0,0]=3 344 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [1,0,0,0,0,0|2,0,0]=3 345 B10R0.6 CCCNNC(=O)CC(=O)N 22a_100000740057_100134613110 [1,0,0,0,0,0|3,0,0]=4 346 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [1,0,0,0,0,0|3,0,0]=4 347 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [1,0,0,0,0,0|3,0,0]=4 348 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [1,0,0,0,0,0|3,0,0]=4 349 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [1,0,0,0,0,0|3,0,0]=4 350 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [1,0,0,0,0,0|3,0,0]=4 351 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [1,0,0,0,0,0|3,0,0]=4 352 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [1,0,0,0,0,0|3,0,0]=4 353 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [1,0,0,0,0,0|3,0,0]=4 354 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [1,0,0,0,0,0|3,0,0]=4 355 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [1,0,0,0,0,0|3,0,0]=4 356 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [1,0,0,0,0,0|3,0,0]=4 357 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [1,0,0,0,0,0|1,0,0]=2 358 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [1,0,0,0,0,0|3,0,0]=4 359 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [1,0,0,0,0,0|3,0,0]=4 360 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [1,0,0,0,0,0|3,0,0]=4 361 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [1,0,0,0,0,0|2,0,0]=3 362 B10R0.6 COCCNC(=O)CC(=O)N 240690a_100000209980_100134613110 [1,0,0,0,0,0|3,0,0]=4 363 B10R0.6 COCCNC(=O)CC(=O)N 527a_100000209980_100134613110 [1,0,0,0,0,0|3,0,0]=4 364 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [1,0,0,0,0,0|1,0,0]=2 365 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [1,0,0,0,0,0|1,0,0]=2 366 B10R0.6 COCCOC(=O)CN(C)C 2230a_100102631434_200000040189 [1,0,0,0,0,0|3,0,0]=4 367 B10R0.6 COCCOC(=O)CN(C)C 269982a_100102631434_200000040189 [1,0,0,0,0,0|3,0,0]=4 368 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [1,0,0,0,0,0|3,0,0]=4 369 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [1,0,0,0,0,0|3,0,0]=4 370 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [1,0,0,0,0,0|3,0,0]=4 371 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [1,0,0,0,0,0|1,0,0]=2 373 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [1,0,0,0,0,0|1,0,0]=2 374 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [1,0,0,0,0,0|3,0,0]=4 375 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [1,0,0,0,0,0|3,0,0]=4 376 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [1,0,0,0,0,0|3,0,0]=4 377 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [1,0,0,0,0,0|3,0,0]=4 378 B10R0.6 NC(=O)CC(=O)NCCCF 240690a_100015189416_100134613110 [1,0,0,0,0,0|3,0,0]=4 379 B10R0.6 NC(=O)CC(=O)NCCCF 527a_100015189416_100134613110 [1,0,0,0,0,0|3,0,0]=4 380 B10R0.6 NC(=O)CC(=O)NCCCO 240690a_100000182051_100134613110 [1,0,0,0,0,0|3,0,0]=4 381 B10R0.6 NC(=O)CC(=O)NCCCO 527a_100000182051_100134613110 [1,0,0,0,0,0|3,0,0]=4 382 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [1,0,0,0,0,0|3,0,0]=4 383 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [1,0,0,0,0,0|3,0,0]=4 384 B10R0.97 C=C(Br)CCOCCC(C)C 34a_100009813270_100000210312 [1,0,0,0,0,0|1,0,2]=4 385 B10R0.97 C=C(C)CCOCCC(=O)C 34a_100000759926_100000730704 [1,0,0,0,0,0|0,0,3]=4 386 B10R0.97 C=C(C)CCOCCC(=O)C 7a_100000759926_100000730704 [1,0,0,0,0,0|0,0,3]=4 387 B10R0.97 C=C(C)CCOCCC(C)Br 34a_100009893172_100000730704 [1,0,0,0,0,0|2,0,1]=4 388 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000210254_100000730704 [1,0,0,0,0,0|1,0,1]=3 389 B10R0.97 C=C(C)CCOCCC(C)C 34a_100000764851_100000210312 [1,0,0,0,0,0|1,0,1]=3 390 B10R0.97 C=C(C)CCOCCC(C)C 7a_100000210254_100000730704 [1,0,0,0,0,0|1,0,1]=3 391 B10R0.97 C=C(C)CCOCCC(C)O 34a_100000764851_100012276601 [1,0,0,0,0,0|2,0,1]=4 392 B10R0.97 C=C(C)CCOCC[C@@H](C)N 34a_100000706166_100000730704 [1,0,0,0,0,0|2,0,1]=4 393 B10R0.97 C=C(C)CCOCOC(C)C 34a_100000764851_100000709892 [1,0,0,0,0,0|2,0,1]=4 394 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000210312_100000730704 [1,0,0,0,0,0|1,1,1]=4 395 B10R0.97 C=C(C)CCSCCC(C)C 62a_100000730704_100000210312 [1,0,0,0,0,0|1,1,1]=4 396 B10R0.97 C=C(C)CNCCCC(C)C 2230a_200000737386_100000748629 [1,0,0,0,0,0|3,0,0]=4 397 B10R0.97 C=C(C)CNCCCC(C)C 34a_200000737386_100000748629 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210245_100011214892 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.97 C=C(C)COCCCC(C)C 34a_100000210774_100000748629 [1,0,0,0,0,0|3,0,0]=4 400 B10R0.97 C=C(C)COCCCC(C)C 7a_100000210774_100000748629 [1,0,0,0,0,0|3,0,0]=4 401 B10R0.97 C=C(C)CSCCCC(C)C 62a_100000748629_100011214892 [1,0,0,0,0,0|3,0,0]=4 402 B10R0.97 C=C(C)CSCCCC(C)C 62a_100011214892_100000211660 [1,0,0,0,0,0|3,0,0]=4 403 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000210254_100000761012 [1,0,0,0,0,0|1,0,2]=4 404 B10R0.97 CC(=CCOCCC(C)C)C 34a_100000753907_100000210312 [1,0,0,0,0,0|1,0,2]=4 405 B10R0.97 CC(=CCOCCC(C)C)C 7a_100000210254_100000761012 [1,0,0,0,0,0|1,0,2]=4 406 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,0,0,0,0,0|1,0,1]=3 407 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,0,0,0,0,0|1,0,1]=3 408 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,0,0,0,0,0|2,0,1]=4 409 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,0,0,0,0,0|2,0,1]=4 410 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,0,0,0,0,0|2,0,1]=4 411 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,0,0,0,0,0|2,0,1]=4 412 B10R0.97 CC(=O)CCCNCC(C)C 34a_100000210953_100000685027 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000210257_100000685027 [1,0,0,0,0,0|2,0,1]=4 414 B10R0.97 CC(=O)CCCOCC(C)C 34a_100000759063_100000210624 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.97 CC(=O)CCCOCC(C)C 7a_100000759063_100000210760 [1,0,0,0,0,0|2,0,1]=4 416 B10R0.97 CC(=O)CCCSCC(C)C 62a_100000210624_100011215641 [1,0,0,0,0,0|2,0,1]=4 417 B10R0.97 CC(=O)CCCSCC(C)C 62a_100011215641_100000210760 [1,0,0,0,0,0|2,0,1]=4 418 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [1,0,0,0,0,0|0,0,3]=4 419 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [1,0,0,0,0,0|0,0,3]=4 420 B10R0.97 CC(=O)CCOCCC(=O)C 7a_100000759926_100000053229 [1,0,0,0,0,0|1,0,2]=4 421 B10R0.97 CC(=O)CCOCCC(C)C 34a_100000759926_100000210312 [1,0,0,0,0,0|0,0,1]=2 422 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000210254_100000053229 [1,0,0,0,0,0|0,0,1]=2 423 B10R0.97 CC(=O)CCOCCC(C)C 7a_100000759926_100000210626 [1,0,0,0,0,0|0,0,1]=2 424 B10R0.97 CC(=O)CCOCCC(C)O 34a_100000759926_100012276601 [1,0,0,0,0,0|1,0,1]=3 425 B10R0.97 CC(=O)CCOCCC(C)O 7a_100000759926_100012276601 [1,0,0,0,0,0|1,0,1]=3 426 B10R0.97 CC(=O)CCOCCN(C)C 7a_100000759926_100000755713 [1,0,0,0,0,0|1,0,1]=3 427 B10R0.97 CC(=O)CCOCOC(C)C 34a_100000759926_100000709892 [1,0,0,0,0,0|1,0,1]=3 428 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000053229_100000210312 [1,0,0,0,0,0|0,1,1]=3 429 B10R0.97 CC(=O)CCSCCC(C)C 62a_100000210312_100000053229 [1,0,0,0,0,0|0,1,1]=3 430 B10R0.97 CC(=O)CCSCCC(C)O 62a_100000053229_100012276601 [1,0,0,0,0,0|1,1,1]=4 431 B10R0.97 CC(=O)CCSCCC(C)O 62a_100012276601_100000053229 [1,0,0,0,0,0|1,1,1]=4 432 B10R0.97 CC(=O)CCSCCN(C)C 62a_100000053229_100000755713 [1,0,0,0,0,0|1,1,1]=4 433 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000053229_100000709892 [1,0,0,0,0,0|1,1,1]=4 434 B10R0.97 CC(=O)CCSCOC(C)C 62a_100000709892_100000053229 [1,0,0,0,0,0|1,1,1]=4 435 B10R0.97 CC(=O)COCCCC(C)C 34a_100000211253_100011214892 [1,0,0,0,0,0|2,0,0]=3 436 B10R0.97 CC(=O)COCCCC(C)O 34a_100000211253_200000718107 [1,0,0,0,0,0|3,0,0]=4 437 B10R0.97 CC(=O)COCCOC(C)C 34a_100000211253_100000211751 [1,0,0,0,0,0|3,0,0]=4 438 B10R0.97 CC(=O)COCCSC(C)C 34a_100000211253_100000730970 [1,0,0,0,0,0|3,0,0]=4 439 B10R0.97 CC(=O)OCOCCC(C)Br 34a_100009893172_100009813279 [1,0,0,0,0,0|2,0,1]=4 440 B10R0.97 CC(=O)OCOCCC(C)C 34a_100000210254_100009813279 [1,0,0,0,0,0|1,0,1]=3 441 B10R0.97 CC(=O)OCOCC[C@@H](C)N 34a_100000706166_100009813279 [1,0,0,0,0,0|2,0,1]=4 442 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000076356_100000210312 [1,0,0,0,0,0|1,1,1]=4 443 B10R0.97 CC(=O)OCSCCC(C)C 62a_100000210312_100000076356 [1,0,0,0,0,0|1,1,1]=4 444 B10R0.97 CC(Br)CCOCCC(=O)N 34a_100009893172_100000731001 [1,0,0,0,0,0|2,0,1]=4 445 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,0,0,0,0,0|1,0,1]=3 446 B10R0.97 CC(C)CCCNCC(=O)N 2230a_100000711301_100011214892 [1,0,0,0,0,0|3,0,0]=4 447 B10R0.97 CC(C)CCCNCC(=O)N 2230a_200000737386_100000747473 [1,0,0,0,0,0|3,0,0]=4 448 B10R0.97 CC(C)CCCNCC(=O)N 34a_200000737386_100000187820 [1,0,0,0,0,0|3,0,0]=4 449 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,0,0,0,0,0|3,0,0]=4 450 B10R0.97 CC(C)CCCNCC(=O)[O-] 34a_200000737386_100020667443 [1,0,0,0,0,0|3,0,0]=4 451 B10R0.97 CC(C)CCCOCC(=O)N 34a_100000210774_100000187820 [1,0,0,0,0,0|3,0,0]=4 452 B10R0.97 CC(C)CCCOCC(=O)N 7a_100000210774_100000187820 [1,0,0,0,0,0|3,0,0]=4 453 B10R0.97 CC(C)CCCOCC(=O)[O-] 34a_100000210774_100020667443 [1,0,0,0,0,0|3,0,0]=4 454 B10R0.97 CC(C)CCCSCC(=O)N 62a_100000747473_100011214892 [1,0,0,0,0,0|3,0,0]=4 455 B10R0.97 CC(C)CCCSCC(=O)N 62a_100011214892_100000747473 [1,0,0,0,0,0|3,0,0]=4 456 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100011214892_100020667443 [1,0,0,0,0,0|3,0,0]=4 457 B10R0.97 CC(C)CCCSCC(=O)[O-] 62a_100020667443_100011214892 [1,0,0,0,0,0|3,0,0]=4 458 B10R0.97 CC(C)CCNCCC(=O)N 269862a_100000740010_100000185833 [1,0,0,0,0,0|2,0,1]=4 459 B10R0.97 CC(C)CCNOCC(=O)O 269956a_100000106656_100000210312 [1,0,0,0,0,0|3,0,0]=4 460 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000210254_100000731001 [1,0,0,0,0,0|1,0,1]=3 461 B10R0.97 CC(C)CCOCCC(=O)N 34a_100000757172_100000210312 [1,0,0,0,0,0|1,0,1]=3 462 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000210254_100000744528 [1,0,0,0,0,0|1,0,1]=3 463 B10R0.97 CC(C)CCOCCC(=O)N 7a_100000757172_100000210626 [1,0,0,0,0,0|1,0,1]=3 464 B10R0.97 CC(C)CCOCCC(C)Br 34a_100009893172_100000210312 [1,0,0,0,0,0|1,0,2]=4 465 B10R0.97 CC(C)CCOCCC(C)C 34a_100000210254_100000210312 [1,0,0,0,0,0|1,0,2]=4 466 B10R0.97 CC(C)CCOCCC(C)C 7a_100000210254_100000210626 [1,0,0,0,0,0|1,0,2]=4 467 B10R0.97 CC(C)CCOCCC(C)O 34a_100000210254_100012276601 [1,0,0,0,0,0|0,0,3]=4 468 B10R0.97 CC(C)CCOCCC(C)O 7a_100000210254_100012276601 [1,0,0,0,0,0|0,0,3]=4 469 B10R0.97 CC(C)CCOCCN(C)C 7a_100000210254_100000755713 [1,0,0,0,0,0|2,0,1]=4 470 B10R0.97 CC(C)CCOCC[C@@H](C)N 34a_100000706166_100000210312 [1,0,0,0,0,0|1,0,2]=4 471 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000210312_100000744528 [1,0,0,0,0,0|1,1,1]=4 472 B10R0.97 CC(C)CCSCCC(=O)N 62a_100000744528_100000210312 [1,0,0,0,0,0|1,1,1]=4 473 B10R0.97 CC(C)OCOCCC(=O)N 34a_100000757172_100000709892 [1,0,0,0,0,0|2,0,1]=4 474 B10R0.97 CC(O)CCOCCC(=O)N 34a_100000757172_100012276601 [1,0,0,0,0,0|2,0,1]=4 475 B10R0.97 CC(O)CCOCCC(=O)N 7a_100000757172_100012276601 [1,0,0,0,0,0|2,0,1]=4 476 B10R0.97 CN(C)CCOCCC(=O)N 7a_100000757172_100000755713 [1,0,0,0,0,0|2,0,1]=4 477 B10R0.97 C[C@@H](N)CCOCCC(=O)N 34a_100000706166_100000731001 [1,0,0,0,0,0|2,0,1]=4 478 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)C 11a_100000692259_100000211388 [0,1,0,0,0,0|2,0,1]=4 479 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)C 1626a_100000692259_100000211388 [0,1,0,0,0,0|2,0,1]=4 480 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)C 240690a_100000692259_100000211388 [0,1,0,0,0,0|2,0,1]=4 481 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)Cl 11a_100000692259_200042562850 [0,1,0,0,0,0|2,0,1]=4 482 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)Cl 1626a_100000692259_200042562850 [0,1,0,0,0,0|2,0,1]=4 483 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)Cl 240690a_100000692259_200042562850 [0,1,0,0,0,0|2,0,1]=4 484 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)I 11a_100000692259_100025716642 [0,1,0,0,0,0|2,0,1]=4 485 B12R0.3 CC(=CC(=O)NC(C)CC(C)C)I 1626a_100000692259_100025716642 [0,1,0,0,0,0|2,0,1]=4 486 B12R0.3 CC(=O)NC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183797 [0,1,0,0,0,0|2,0,1]=4 487 B12R0.3 CC(=O)NC(=O)CN(C)CC(C)C 269982a_100000747067_100000183797 [0,1,0,0,0,0|3,0,0]=4 488 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 11a_100000692259_100000210554 [0,1,0,0,0,0|2,0,1]=4 489 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210554 [0,1,0,0,0,0|2,0,1]=4 490 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210554 [0,1,0,0,0,0|2,0,1]=4 491 B12R0.3 CC(C)CC(=O)NC(C)CC(C)C 527a_100000692259_100000210554 [0,1,0,0,0,0|2,0,1]=4 492 B12R0.3 CC(C)CC(C)NC(=O)CC(=O)N 240690a_100000692259_100134613110 [0,1,0,0,0,0|2,0,0]=3 493 B12R0.3 CC(C)CC(C)NC(=O)CC(=O)N 527a_100000692259_100134613110 [0,1,0,0,0,0|2,0,0]=3 494 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 11a_100000692259_100000750896 [0,1,0,0,0,0|3,0,0]=4 495 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 240690a_100000692259_100000750896 [0,1,0,0,0,0|3,0,0]=4 496 B12R0.3 CC(C)CC(C)NC(=O)CN(C)C 527a_100000692259_100000750896 [0,1,0,0,0,0|3,0,0]=4 497 B12R0.3 CC(C)CC(C)NC(=O)C[C@@H](C)O 240690a_100000692259_100011933948 [0,1,0,0,0,0|1,0,2]=4 498 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 11a_100000692259_200159257847 [0,1,0,0,0,0|3,0,0]=4 499 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 1626a_100000692259_200159257847 [0,1,0,0,0,0|3,0,0]=4 500 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 240690a_100000692259_200159257847 [0,1,0,0,0,0|3,0,0]=4 501 B12R0.3 CC(C)CC(C)NC(=O)C[S+](C)C 527a_100000692259_200159257847 [0,1,0,0,0,0|3,0,0]=4 502 B12R0.3 CC(CN(C)C)NC(=O)CC(=O)N 240690a_100016992788_100134613110 [0,1,0,0,0,0|3,0,0]=4 503 B12R0.3 CC(CN(C)C)NC(=O)CC(=O)N 527a_100016992788_100134613110 [0,1,0,0,0,0|3,0,0]=4 504 B12R0.66 C=C(C)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000748629 [0,1,0,0,0,0|3,0,0]=4 505 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)C 11a_100000738805_100000211388 [0,1,0,0,0,0|2,0,1]=4 506 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)C 1626a_100000738805_100000211388 [0,1,0,0,0,0|2,0,1]=4 507 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)C 240690a_100000738805_100000211388 [0,1,0,0,0,0|2,0,1]=4 508 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)Cl 11a_100000738805_200042562850 [0,1,0,0,0,0|2,0,1]=4 509 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)Cl 1626a_100000738805_200042562850 [0,1,0,0,0,0|2,0,1]=4 510 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)Cl 240690a_100000738805_200042562850 [0,1,0,0,0,0|2,0,1]=4 511 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)I 11a_100000738805_100025716642 [0,1,0,0,0,0|2,0,1]=4 512 B12R0.66 CC(=CC(=O)NCCC(C)(C)C)I 1626a_100000738805_100025716642 [0,1,0,0,0,0|2,0,1]=4 513 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)C 11a_100016253952_100000211388 [0,1,0,0,0,0|2,0,1]=4 514 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)C 1626a_100016253952_100000211388 [0,1,0,0,0,0|2,0,1]=4 515 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)C 240690a_100016253952_100000211388 [0,1,0,0,0,0|2,0,1]=4 516 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)Cl 11a_100016253952_200042562850 [0,1,0,0,0,0|2,0,1]=4 517 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)Cl 1626a_100016253952_200042562850 [0,1,0,0,0,0|2,0,1]=4 518 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)Cl 240690a_100016253952_200042562850 [0,1,0,0,0,0|2,0,1]=4 519 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)I 11a_100016253952_100025716642 [0,1,0,0,0,0|2,0,1]=4 520 B12R0.66 CC(=CC(=O)NCCC(C)(C)F)I 1626a_100016253952_100025716642 [0,1,0,0,0,0|2,0,1]=4 521 B12R0.66 CC(=CC(=O)NCCC(C)(C)O)C 1626a_100000707701_100000211388 [0,1,0,0,0,0|2,0,1]=4 522 B12R0.66 CC(=CC(=O)NCCC(C)(C)O)Cl 1626a_100000707701_200042562850 [0,1,0,0,0,0|2,0,1]=4 523 B12R0.66 CC(=CC(=O)NCCC(C)(C)O)I 1626a_100000707701_100025716642 [0,1,0,0,0,0|2,0,1]=4 524 B12R0.66 CC(=O)NC(=O)CSCC(C)(C)C 62a_100011219605_100000183797 [0,1,0,0,0,0|3,0,0]=4 525 B12R0.66 CC(=O)NC(=O)CSCC(C)(C)F 62a_100011997219_100000183797 [0,1,0,0,0,0|3,0,0]=4 526 B12R0.66 CC(=O)NC(=O)CSCC(C)(C)O 62a_100000764493_100000183797 [0,1,0,0,0,0|3,0,0]=4 527 B12R0.66 CC(C)(C)CCNC(=O)CC(=O)N 240690a_100000738805_100134613110 [0,1,0,0,0,0|2,0,0]=3 528 B12R0.66 CC(C)(C)CCNC(=O)CC(=O)N 527a_100000738805_100134613110 [0,1,0,0,0,0|2,0,0]=3 529 B12R0.66 CC(C)(F)CCNC(=O)CC(=O)N 240690a_100016253952_100134613110 [0,1,0,0,0,0|2,0,0]=3 530 B12R0.66 CC(C)(F)CCNC(=O)CC(=O)N 527a_100016253952_100134613110 [0,1,0,0,0,0|2,0,0]=3 531 B12R0.66 CC(C)(O)CCNC(=O)CC(=O)N 527a_100000707701_100134613110 [0,1,0,0,0,0|2,0,0]=3 532 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 11a_100000738805_100000210554 [0,1,0,0,0,0|2,0,1]=4 533 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210554 [0,1,0,0,0,0|2,0,1]=4 534 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210554 [0,1,0,0,0,0|2,0,1]=4 535 B12R0.66 CC(C)CC(=O)NCCC(C)(C)C 527a_100000738805_100000210554 [0,1,0,0,0,0|2,0,1]=4 536 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 11a_100016253952_100000210554 [0,1,0,0,0,0|2,0,1]=4 537 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210554 [0,1,0,0,0,0|2,0,1]=4 538 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210554 [0,1,0,0,0,0|2,0,1]=4 539 B12R0.66 CC(C)CC(=O)NCCC(C)(C)F 527a_100016253952_100000210554 [0,1,0,0,0,0|2,0,1]=4 540 B12R0.66 CC(C)CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210554 [0,1,0,0,0,0|2,0,1]=4 541 B12R0.66 CC(C)CC(=O)NCCC(C)(C)O 527a_100000707701_100000210554 [0,1,0,0,0,0|2,0,1]=4 542 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 11a_100000738805_100000750896 [0,1,0,0,0,0|3,0,0]=4 543 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000750896 [0,1,0,0,0,0|3,0,0]=4 544 B12R0.66 CN(C)CC(=O)NCCC(C)(C)C 527a_100000738805_100000750896 [0,1,0,0,0,0|3,0,0]=4 545 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 11a_100016253952_100000750896 [0,1,0,0,0,0|3,0,0]=4 546 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000750896 [0,1,0,0,0,0|3,0,0]=4 547 B12R0.66 CN(C)CC(=O)NCCC(C)(C)F 527a_100016253952_100000750896 [0,1,0,0,0,0|3,0,0]=4 548 B12R0.66 CN(C)CC(=O)NCCC(C)(C)O 527a_100000707701_100000750896 [0,1,0,0,0,0|3,0,0]=4 549 B12R0.66 C[C@@H](O)CC(=O)NCCC(C)(C)C 240690a_100000738805_100011933948 [0,1,0,0,0,0|1,0,2]=4 550 B12R0.66 C[C@@H](O)CC(=O)NCCC(C)(C)F 240690a_100016253952_100011933948 [0,1,0,0,0,0|1,0,2]=4 551 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)N 1458a_100000085584_100000187820 [0,1,0,0,0,0|3,0,0]=4 552 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)N 1458a_100134613110_100016990835 [0,1,0,0,0,0|3,0,0]=4 553 B12R0.66 C[N+](C)(C)CCCC(=O)CC(=O)[O-] 1458a_100000085584_100020667443 [0,1,0,0,0,0|3,0,0]=4 554 B12R0.66 C[N+](C)(C)CCNC(=O)CC(=O)N 240690a_100000106457_100134613110 [0,1,0,0,0,0|3,0,0]=4 555 B12R0.66 C[N+](C)(C)CCNC(=O)CC(=O)N 527a_100000106457_100134613110 [0,1,0,0,0,0|3,0,0]=4 556 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 11a_100000738805_200159257847 [0,1,0,0,0,0|3,0,0]=4 557 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 1626a_100000738805_200159257847 [0,1,0,0,0,0|3,0,0]=4 558 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 240690a_100000738805_200159257847 [0,1,0,0,0,0|3,0,0]=4 559 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)C 527a_100000738805_200159257847 [0,1,0,0,0,0|3,0,0]=4 560 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 11a_100016253952_200159257847 [0,1,0,0,0,0|3,0,0]=4 561 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 1626a_100016253952_200159257847 [0,1,0,0,0,0|3,0,0]=4 562 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 240690a_100016253952_200159257847 [0,1,0,0,0,0|3,0,0]=4 563 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)F 527a_100016253952_200159257847 [0,1,0,0,0,0|3,0,0]=4 564 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)O 1626a_100000707701_200159257847 [0,1,0,0,0,0|3,0,0]=4 565 B12R0.66 C[S+](C)CC(=O)NCCC(C)(C)O 527a_100000707701_200159257847 [0,1,0,0,0,0|3,0,0]=4 566 B12R0.66 C[Si](C)(C)CCCC(=O)CC(=O)N 1458a_100134613110_100011219597 [0,1,0,0,0,0|2,1,0]=4 567 B12R0.140 CC(C)CCCC(=O)CC(C)(C)C 1458a_100000211214_100011214892 [0,1,0,0,0,0|2,0,1]=4 568 B12R0.140 CC(C)CCCC(=O)CC(C)(C)O 1458a_100000693243_100011214892 [0,1,0,0,0,0|1,0,2]=4 569 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011214892 [0,1,0,0,0,0|2,0,0]=3 570 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)N 1458a_100011216857_100000741382 [0,1,0,0,0,0|3,0,0]=4 571 B12R0.140 CC(C)CCCC(=O)CS(=O)(=O)[O-] 1458a_100011216857_100009817235 [0,1,0,0,0,0|3,0,0]=4 572 B12R0.140 CC(C)CCCC(=O)C[N+](C)(C)C 1458a_100000033712_100011214892 [0,1,0,0,0,0|3,0,0]=4 573 B12R0.140 CC(C)CCCC(=O)C[Si](C)(C)C 1458a_100011216857_100000233785 [0,1,0,0,0,0|2,1,0]=4 574 B12R0.140 CC(C)CCCC(=O)C[Si](C)(C)C 1458a_100011218504_100011214892 [0,1,0,0,0,0|2,1,0]=4 575 B12R0.140 CC(C)CCCC(=O)NS(=O)(=O)C 2740a_100000171171_100011216857 [0,1,0,0,0,0|3,0,0]=4 576 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 11a_100000210545_100000211214 [0,1,0,0,0,0|2,0,1]=4 577 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 1626a_100000210545_100000211214 [0,1,0,0,0,0|2,0,1]=4 578 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 240690a_100000210545_100000211214 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.140 CC(C)CCNC(=O)CC(C)(C)C 527a_100000210545_100000211214 [0,1,0,0,0,0|2,0,1]=4 580 B12R0.140 CC(C)CCNC(=O)CC(C)(C)O 527a_100000210545_100000693243 [0,1,0,0,0,0|1,0,2]=4 581 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 11a_100000210545_100000744497 [0,1,0,0,0,0|2,0,0]=3 582 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 240690a_100000210545_100000744497 [0,1,0,0,0,0|2,0,0]=3 583 B12R0.140 CC(C)CCNC(=O)CS(=O)(=O)C 527a_100000210545_100000744497 [0,1,0,0,0,0|2,0,0]=3 584 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 11a_100000210545_100000033712 [0,1,0,0,0,0|3,0,0]=4 585 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 1626a_100000210545_100000033712 [0,1,0,0,0,0|3,0,0]=4 586 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 240690a_100000210545_100000033712 [0,1,0,0,0,0|3,0,0]=4 587 B12R0.140 CC(C)CCNC(=O)C[N+](C)(C)C 527a_100000210545_100000033712 [0,1,0,0,0,0|3,0,0]=4 588 B12R0.140 CC(C)CCNC(=O)C[Si](C)(C)C 11a_100000210545_100011218504 [0,1,0,0,0,0|2,1,0]=4 589 B12R0.140 CC(C)CCNC(=O)C[Si](C)(C)C 1626a_100000210545_100011218504 [0,1,0,0,0,0|2,1,0]=4 590 B12R0.140 CC(C)CNNC(=O)CS(=O)(=O)C 22a_100000696102_100000744497 [0,1,0,0,0,0|3,0,0]=4 591 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 2230a_100138425928_200010999194 [0,1,0,0,0,0|2,0,1]=4 592 B12R0.140 CC(C)NCOC(=O)CC(C)(C)C 34a_100138425928_200010999194 [0,1,0,0,0,0|2,0,1]=4 593 B12R0.140 CC(C)OCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000211751 [0,1,0,0,0,0|3,0,0]=4 594 B12R0.140 CC(C)OCOC(=O)CC(C)(C)C 34a_100000212225_200010999194 [0,1,0,0,0,0|2,0,1]=4 595 B12R0.140 CC(C)SCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000730970 [0,1,0,0,0,0|3,0,0]=4 596 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_100000210206_200010999194 [0,1,0,0,0,0|2,0,1]=4 597 B12R0.140 CC(C)SCOC(=O)CC(C)(C)C 62a_200010999194_100000210206 [0,1,0,0,0,0|2,0,1]=4 598 B12R0.140 CC(O)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_200000718107 [0,1,0,0,0,0|3,0,0]=4 599 B12R0.140 CC(O)CCNC(=O)CS(=O)(=O)C 240690a_200000755665_100000744497 [0,1,0,0,0,0|3,0,0]=4 600 B12R0.140 CC(O)CCNC(=O)CS(=O)(=O)C 527a_200000755665_100000744497 [0,1,0,0,0,0|3,0,0]=4 601 B12R0.140 CN(C)CCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000695564 [0,1,0,0,0,0|3,0,0]=4 602 B12R0.140 CN(C)CCNC(=O)CS(=O)(=O)C 240690a_100000210585_100000744497 [0,1,0,0,0,0|3,0,0]=4 603 B12R0.140 CN(C)CCNC(=O)CS(=O)(=O)C 527a_100000210585_100000744497 [0,1,0,0,0,0|3,0,0]=4 604 B12R0.240 C=C(C#N)CC(=O)CCCC(C)C 1458a_100011216857_100000694840 [0,1,0,0,0,0|2,0,1]=4 605 B12R0.240 C=CC(C)CC(=O)CCCC(C)C 1458a_100011934298_100011214892 [0,1,0,0,0,0|2,0,1]=4 606 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 11a_100000210545_100011934298 [0,1,0,0,0,0|2,0,1]=4 607 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 1626a_100000210545_100011934298 [0,1,0,0,0,0|2,0,1]=4 608 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 240690a_100000210545_100011934298 [0,1,0,0,0,0|2,0,1]=4 609 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 527a_100000210545_100011934298 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.240 CC(C)CCCC(=O)C[C@@H](C)CO 1458a_100011216857_100000059175 [0,1,0,0,0,0|1,0,2]=4 611 B12R0.240 CCC(=CC(=O)CCCC(C)C)C 1458a_100020758463_100011214892 [0,1,0,0,0,0|2,0,1]=4 612 B12R0.240 CCC(=CC(=O)NCCC(C)C)C 11a_100000210545_100020758463 [0,1,0,0,0,0|2,0,1]=4 613 B12R0.240 CCC(=CC(=O)NCCC(C)C)C 1626a_100000210545_100020758463 [0,1,0,0,0,0|2,0,1]=4 614 B12R0.240 CCC(=CC(=O)NCCC(C)C)C 240690a_100000210545_100020758463 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.240 CCC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747405 [0,1,0,0,0,0|1,0,2]=4 616 B12R0.240 CCC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000747405 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,1,0,0,0,0|1,0,0]=2 618 B12R0.240 CCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747405 [0,1,0,0,0,0|2,0,0]=3 619 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100000708755_100011214892 [0,1,0,0,0,0|2,0,1]=4 620 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748023 [0,1,0,0,0,0|2,0,1]=4 621 B12R0.240 CCC(C)CC(=O)NCCC(C)C 11a_100000210545_100000708755 [0,1,0,0,0,0|2,0,1]=4 622 B12R0.240 CCC(C)CC(=O)NCCC(C)C 1626a_100000210545_100000708755 [0,1,0,0,0,0|2,0,1]=4 623 B12R0.240 CCC(C)CC(=O)NCCC(C)C 240690a_100000210545_100000708755 [0,1,0,0,0,0|2,0,1]=4 624 B12R0.240 CCC(C)CC(=O)NCCC(C)C 527a_100000210545_100000708755 [0,1,0,0,0,0|2,0,1]=4 625 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,1,0,0,0,0|1,0,2]=4 626 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,1,0,0,0,0|1,0,2]=4 627 B12R0.240 CCC(O)CC(=O)NCCC(C)C 1626a_100000210545_100011667805 [0,1,0,0,0,0|1,0,2]=4 628 B12R0.240 CCC(O)CC(=O)NCCC(C)C 240690a_100000210545_100011667805 [0,1,0,0,0,0|1,0,2]=4 629 B12R0.240 CCN(C)CC(=O)CCCC(C)C 1458a_100116209913_100011214892 [0,1,0,0,0,0|3,0,0]=4 630 B12R0.240 CCN(C)CC(=O)NCCC(C)C 240690a_100000210545_100116209913 [0,1,0,0,0,0|3,0,0]=4 631 B12R0.240 CCN(C)CC(=O)NCCC(C)C 527a_100000210545_100116209913 [0,1,0,0,0,0|3,0,0]=4 632 B12R0.240 CC[C@H](C)CC(=O)CCCC(C)C 1458a_100011216857_100009816398 [0,1,0,0,0,0|2,0,1]=4 633 B12R0.240 CNC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000183359 [0,1,0,0,0,0|1,0,2]=4 634 B12R0.240 CNC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000183359 [0,1,0,0,0,0|2,0,1]=4 635 B12R0.240 CNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183359 [0,1,0,0,0,0|1,0,0]=2 636 B12R0.240 CNC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000183359 [0,1,0,0,0,0|2,0,0]=3 637 B12R0.240 CNC(=O)CN(C)CCCC(C)C 2230a_100000189611_100011214892 [0,1,0,0,0,0|3,0,0]=4 638 B12R0.240 COC(=O)CC(=O)C/C=C/C(C)C 1458a_100016292215_100000747449 [0,1,0,0,0,0|1,0,2]=4 639 B12R0.240 COC(=O)CC(=O)C=CCN(C)C 1458a_100000754359_100000747449 [0,1,0,0,0,0|2,0,1]=4 640 B12R0.240 COC(=O)CC(=O)CCC=C(C)C 1458a_100000211351_100011217483 [0,1,0,0,0,0|1,0,2]=4 641 B12R0.240 COC(=O)CC(=O)CCCC(=O)C 1458a_100000211351_100011215641 [0,1,0,0,0,0|2,0,1]=4 642 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100000211351_100011214892 [0,1,0,0,0,0|1,0,0]=2 643 B12R0.240 COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747449 [0,1,0,0,0,0|1,0,0]=2 644 B12R0.240 COC(=O)CC(=O)CCCC(C)O 1458a_100000211351_200000718107 [0,1,0,0,0,0|2,0,0]=3 645 B12R0.240 COC(=O)CC(=O)CCCN(C)C 1458a_100000211351_100000695564 [0,1,0,0,0,0|2,0,0]=3 646 B12R0.240 COC(=O)CC(=O)CCOC(C)C 1458a_100000211351_100000211751 [0,1,0,0,0,0|2,0,0]=3 647 B12R0.240 COC(=O)CC(=O)CCSC(C)C 1458a_100000211351_100000730970 [0,1,0,0,0,0|2,0,0]=3 648 B12R0.240 COC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747449 [0,1,0,0,0,0|2,0,0]=3 649 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210525_100000210760 [0,1,0,0,0,0|2,0,0]=3 650 B12R0.240 COC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210525 [0,1,0,0,0,0|2,0,0]=3 651 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100000210525_100011218427 [0,1,0,0,0,0|3,0,0]=4 652 B12R0.240 COC(=O)CC(=O)CSCC(C)O 62a_100011218427_100000210525 [0,1,0,0,0,0|3,0,0]=4 653 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100000210525_100009817552 [0,1,0,0,0,0|3,0,0]=4 654 B12R0.240 COC(=O)CC(=O)CSC[C@@H](C)O 62a_100009817552_100000210525 [0,1,0,0,0,0|3,0,0]=4 655 B12R0.240 COC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000211351 [0,1,0,0,0,0|1,0,0]=2 656 B12R0.240 COC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000211351 [0,1,0,0,0,0|2,0,0]=3 657 B12R0.240 COC(=O)CC(=O)NCCN(C)C 240690a_100000210585_100000211351 [0,1,0,0,0,0|2,0,0]=3 658 B12R0.240 COC(=O)CC(=O)NNCC(C)C 22a_100000696102_100000211351 [0,1,0,0,0,0|2,0,0]=3 659 B12R0.240 COC(=O)CC(=O)NNCC(C)O 22a_200000730056_100000211351 [0,1,0,0,0,0|3,0,0]=4 660 B12R0.240 COC(=O)CC(C)OCCC(C)Br 34a_100009893172_100009817358 [0,1,0,0,0,0|2,0,1]=4 661 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [0,1,0,0,0,0|1,0,1]=3 662 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [0,1,0,0,0,0|1,0,1]=3 663 B12R0.240 COC(=O)CC(C)OCC[C@@H](C)N 34a_100000706166_100009817358 [0,1,0,0,0,0|2,0,1]=4 664 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817358 [0,1,0,0,0,0|1,1,1]=4 665 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100009817358_100000210312 [0,1,0,0,0,0|1,1,1]=4 666 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [0,1,0,0,0,0|3,0,0]=4 667 B12R0.240 COC(=O)NC(=O)CSCC(C)C 62a_100000210624_100000010850 [0,1,0,0,0,0|3,0,0]=4 668 B12R0.241 C#CC(=O)CCOC(=O)CC(=O)C 1458a_100000211873_100000102702 [0,1,0,0,0,0|1,0,2]=4 669 B12R0.241 C=CC(=O)CCOC(=O)CC(=O)C 1458a_100000185746_100000102702 [0,1,0,0,0,0|1,0,2]=4 670 B12R0.241 CC(=CC(=O)NCCC(C)CO)C 240690a_106354213184_100000211388 [0,1,0,0,0,0|2,0,1]=4 671 B12R0.241 CC(=CC(=O)NCCC(C)CO)Cl 240690a_106354213184_200042562850 [0,1,0,0,0,0|2,0,1]=4 672 B12R0.241 CC(=O)CC(=O)OCCC(=O)CO 1458a_100000210174_100000102702 [0,1,0,0,0,0|1,0,1]=3 673 B12R0.241 CC(=O)NC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183797 [0,1,0,0,0,0|3,0,0]=4 674 B12R0.241 CC(C)CC(=O)NCCC(C)CO 240690a_106354213184_100000210554 [0,1,0,0,0,0|2,0,1]=4 675 B12R0.241 CC(C)CC(=O)NCCC(C)CO 527a_106354213184_100000210554 [0,1,0,0,0,0|2,0,1]=4 676 B12R0.241 CC(CO)CCNC(=O)CC(=O)N 240690a_106354213184_100134613110 [0,1,0,0,0,0|2,0,0]=3 677 B12R0.241 CC(CO)CCNC(=O)CC(=O)N 527a_106354213184_100134613110 [0,1,0,0,0,0|2,0,0]=3 678 B12R0.241 CC(CO)CCNC(=O)CN(C)C 240690a_106354213184_100000750896 [0,1,0,0,0,0|3,0,0]=4 679 B12R0.241 CC(CO)CCNC(=O)CN(C)C 527a_106354213184_100000750896 [0,1,0,0,0,0|3,0,0]=4 680 B12R0.241 CC(CO)CCNC(=O)C[C@@H](C)O 240690a_106354213184_100011933948 [0,1,0,0,0,0|1,0,2]=4 681 B12R0.241 CC(CO)CCNC(=O)C[S+](C)C 240690a_106354213184_200159257847 [0,1,0,0,0,0|3,0,0]=4 682 B12R0.241 CC(CO)CCNC(=O)C[S+](C)C 527a_106354213184_200159257847 [0,1,0,0,0,0|3,0,0]=4 683 B12R0.241 CCC(=O)CCOC(=O)CC(=O)C 1458a_100000210414_100000102702 [0,1,0,0,0,0|1,0,1]=3 684 B12R0.241 CCC(C)CCNC(=O)C=C(C)C 11a_100020591266_100000211388 [0,1,0,0,0,0|2,0,1]=4 685 B12R0.241 CCC(C)CCNC(=O)C=C(C)C 1626a_100020591266_100000211388 [0,1,0,0,0,0|2,0,1]=4 686 B12R0.241 CCC(C)CCNC(=O)C=C(C)C 240690a_100020591266_100000211388 [0,1,0,0,0,0|2,0,1]=4 687 B12R0.241 CCC(C)CCNC(=O)C=C(C)Cl 11a_100020591266_200042562850 [0,1,0,0,0,0|2,0,1]=4 688 B12R0.241 CCC(C)CCNC(=O)C=C(C)Cl 1626a_100020591266_200042562850 [0,1,0,0,0,0|2,0,1]=4 689 B12R0.241 CCC(C)CCNC(=O)C=C(C)Cl 240690a_100020591266_200042562850 [0,1,0,0,0,0|2,0,1]=4 690 B12R0.241 CCC(C)CCNC(=O)C=C(C)I 11a_100020591266_100025716642 [0,1,0,0,0,0|2,0,1]=4 691 B12R0.241 CCC(C)CCNC(=O)C=C(C)I 1626a_100020591266_100025716642 [0,1,0,0,0,0|2,0,1]=4 692 B12R0.241 CCC(C)CCNC(=O)CC(=O)N 240690a_100020591266_100134613110 [0,1,0,0,0,0|2,0,0]=3 693 B12R0.241 CCC(C)CCNC(=O)CC(=O)N 527a_100020591266_100134613110 [0,1,0,0,0,0|2,0,0]=3 694 B12R0.241 CCC(C)CCNC(=O)CC(C)C 11a_100020591266_100000210554 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.241 CCC(C)CCNC(=O)CC(C)C 1626a_100020591266_100000210554 [0,1,0,0,0,0|2,0,1]=4 696 B12R0.241 CCC(C)CCNC(=O)CC(C)C 240690a_100020591266_100000210554 [0,1,0,0,0,0|2,0,1]=4 697 B12R0.241 CCC(C)CCNC(=O)CC(C)C 527a_100020591266_100000210554 [0,1,0,0,0,0|2,0,1]=4 698 B12R0.241 CCC(C)CCNC(=O)CN(C)C 11a_100020591266_100000750896 [0,1,0,0,0,0|3,0,0]=4 699 B12R0.241 CCC(C)CCNC(=O)CN(C)C 240690a_100020591266_100000750896 [0,1,0,0,0,0|3,0,0]=4 700 B12R0.241 CCC(C)CCNC(=O)CN(C)C 527a_100020591266_100000750896 [0,1,0,0,0,0|3,0,0]=4 701 B12R0.241 CCC(C)CCNC(=O)C[C@@H](C)O 240690a_100020591266_100011933948 [0,1,0,0,0,0|1,0,2]=4 702 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 11a_100020591266_200159257847 [0,1,0,0,0,0|3,0,0]=4 703 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 1626a_100020591266_200159257847 [0,1,0,0,0,0|3,0,0]=4 704 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 240690a_100020591266_200159257847 [0,1,0,0,0,0|3,0,0]=4 705 B12R0.241 CCC(C)CCNC(=O)C[S+](C)C 527a_100020591266_200159257847 [0,1,0,0,0,0|3,0,0]=4 706 B12R0.241 CCC(C)CSCC(=O)NC(=O)C 62a_100000748023_100000183797 [0,1,0,0,0,0|3,0,0]=4 707 B12R0.241 CCN(C)CCCC(=O)CC(=O)N 1458a_100134613110_100015186262 [0,1,0,0,0,0|3,0,0]=4 708 B12R0.241 CCN(C)CCOC(=O)CC(=O)C 269982a_100000225621_100000102702 [0,1,0,0,0,0|1,0,0]=2 709 B12R0.241 CCN(C)CCOC(=O)NC(=O)N 269982a_100000225621_100000054987 [0,1,0,0,0,0|3,0,0]=4 710 B12R0.241 CC[C@H](C)COCC(=O)NC(=O)C 7a_100009816381_100000183797 [0,1,0,0,0,0|3,0,0]=4 711 B12R0.241 CC[C@H](C)CSCC(=O)NC(=O)C 62a_100009816398_100000183797 [0,1,0,0,0,0|3,0,0]=4 712 B12R0.241 COC(=O)CCNC(=O)CC(=O)C 1458a_100000070787_100000230212 [0,1,0,0,0,0|2,0,1]=4 713 B12R0.258 C=C(C)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000748629 [0,1,0,0,0,0|3,0,0]=4 714 B12R0.258 CC(=CC(=O)C(C)CCC(C)C)C 1458a_100000211388_100011261404 [0,1,0,0,0,0|2,0,1]=4 715 B12R0.258 CC(=CC(=O)C(C)CCC(C)C)Cl 1458a_200042562850_100011261404 [0,1,0,0,0,0|2,0,1]=4 716 B12R0.258 CC(=CC(=O)C(C)CCC(C)C)I 1458a_100025716642_100011261404 [0,1,0,0,0,0|2,0,1]=4 717 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)C 11a_100000742789_100000211388 [0,1,0,0,0,0|2,0,1]=4 718 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)C 1626a_100000742789_100000211388 [0,1,0,0,0,0|2,0,1]=4 719 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)C 240690a_100000742789_100000211388 [0,1,0,0,0,0|2,0,1]=4 720 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)Cl 11a_100000742789_200042562850 [0,1,0,0,0,0|2,0,1]=4 721 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)Cl 1626a_100000742789_200042562850 [0,1,0,0,0,0|2,0,1]=4 722 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)Cl 240690a_100000742789_200042562850 [0,1,0,0,0,0|2,0,1]=4 723 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)I 11a_100000742789_100025716642 [0,1,0,0,0,0|2,0,1]=4 724 B12R0.258 CC(=CC(=O)N(C)CCC(C)C)I 1626a_100000742789_100025716642 [0,1,0,0,0,0|2,0,1]=4 725 B12R0.258 CC(C)CCC(C)C(=O)CC(=O)N 1458a_100134613110_100011261404 [0,1,0,0,0,0|2,0,0]=3 726 B12R0.258 CC(C)CCC(C)C(=O)CC(C)C 1458a_100000210554_100011261404 [0,1,0,0,0,0|2,0,1]=4 727 B12R0.258 CC(C)CCC(C)C(=O)CN(C)C 1458a_100000750896_100011261404 [0,1,0,0,0,0|3,0,0]=4 728 B12R0.258 CC(C)CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100011261404 [0,1,0,0,0,0|1,0,2]=4 729 B12R0.258 CC(C)CCC(C)C(=O)C[S+](C)C 1458a_200159257847_100011261404 [0,1,0,0,0,0|3,0,0]=4 730 B12R0.258 CC(C)CCN(C)C(=O)CC(=O)N 240690a_100000742789_100134613110 [0,1,0,0,0,0|2,0,0]=3 731 B12R0.258 CC(C)CCN(C)C(=O)CC(=O)N 527a_100000742789_100134613110 [0,1,0,0,0,0|2,0,0]=3 732 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 11a_100000742789_100000210554 [0,1,0,0,0,0|2,0,1]=4 733 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 1626a_100000742789_100000210554 [0,1,0,0,0,0|2,0,1]=4 734 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 240690a_100000742789_100000210554 [0,1,0,0,0,0|2,0,1]=4 735 B12R0.258 CC(C)CCN(C)C(=O)CC(C)C 527a_100000742789_100000210554 [0,1,0,0,0,0|2,0,1]=4 736 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 11a_100000742789_100000750896 [0,1,0,0,0,0|3,0,0]=4 737 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 240690a_100000742789_100000750896 [0,1,0,0,0,0|3,0,0]=4 738 B12R0.258 CC(C)CCN(C)C(=O)CN(C)C 527a_100000742789_100000750896 [0,1,0,0,0,0|3,0,0]=4 739 B12R0.258 CC(C)CCN(C)C(=O)C[C@@H](C)O 240690a_100000742789_100011933948 [0,1,0,0,0,0|1,0,2]=4 740 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 11a_100000742789_200159257847 [0,1,0,0,0,0|3,0,0]=4 741 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 1626a_100000742789_200159257847 [0,1,0,0,0,0|3,0,0]=4 742 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 240690a_100000742789_200159257847 [0,1,0,0,0,0|3,0,0]=4 743 B12R0.258 CC(C)CCN(C)C(=O)C[S+](C)C 527a_100000742789_200159257847 [0,1,0,0,0,0|3,0,0]=4 744 B12R0.258 CC(C)CNC(=O)C(=O)CC(=O)N 1458a_200011297155_100000187820 [0,1,0,0,0,0|3,0,0]=4 745 B12R0.258 CC(C)CNC(=O)C(=O)CC(=O)[O-] 1458a_200011297155_100020667443 [0,1,0,0,0,0|3,0,0]=4 746 B12R0.258 CN(C)CCN(C)C(=O)CC(=O)N 240690a_100000225618_100134613110 [0,1,0,0,0,0|3,0,0]=4 747 B12R0.258 CN(C)CCN(C)C(=O)CC(=O)N 527a_100000225618_100134613110 [0,1,0,0,0,0|3,0,0]=4 748 B12R0.686 CC(=O)C(C)C(=O)C/C=C/C(C)C 1458a_100016292215_100000179758 [0,1,0,0,0,0|1,0,2]=4 749 B12R0.686 CC(=O)C(C)C(=O)C=CCN(C)C 1458a_100000754359_100000179758 [0,1,0,0,0,0|2,0,1]=4 750 B12R0.686 CC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000179758 [0,1,0,0,0,0|1,0,0]=2 751 B12R0.686 CC(=O)C(C)C(=O)COCC(C)C 1458a_100011223364_100000179758 [0,1,0,0,0,0|2,0,0]=3 752 B12R0.686 CC(=O)C(C)C(=O)NCCC(C)C 1458a_100000070787_100000735922 [0,1,0,0,0,0|1,0,0]=2 753 B12R0.686 CC(C)CCCC(=O)C(C)C(=O)N 1458a_100011216857_100000702099 [0,1,0,0,0,0|2,0,0]=3 754 B12R0.686 CC(C)CCCC(=O)C(C)C(C)C 1458a_100000755409_100011214892 [0,1,0,0,0,0|2,0,1]=4 755 B12R0.686 CC(C)CCCC(=O)C(F)C(=O)N 1458a_100011216857_100009813875 [0,1,0,0,0,0|2,0,0]=3 756 B12R0.686 CC(C)CCCC(=O)C(F)C(=O)[O-] 1458a_100011216857_100020610796 [0,1,0,0,0,0|2,0,0]=3 757 B12R0.686 CC(C)CCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100011214892 [0,1,0,0,0,0|3,0,0]=4 758 B12R0.686 CC(C)CCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011214892 [0,1,0,0,0,0|2,0,1]=4 759 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 11a_100000210545_100000755409 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 1626a_100000210545_100000755409 [0,1,0,0,0,0|2,0,1]=4 761 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 240690a_100000210545_100000755409 [0,1,0,0,0,0|2,0,1]=4 762 B12R0.686 CC(C)CCNC(=O)C(C)C(C)C 527a_100000210545_100000755409 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.686 CC(C)CCNC(=O)C(C)N(C)C 2230a_100102631434_100000735922 [0,1,0,0,0,0|3,0,0]=4 764 B12R0.686 CC(C)CCNC(=O)C(C)N(C)C 269982a_100102631434_100000735922 [0,1,0,0,0,0|3,0,0]=4 765 B12R0.686 CC(C)CCNC(=O)[C@H](C)N(C)C 240690a_100000210545_100009822176 [0,1,0,0,0,0|3,0,0]=4 766 B12R0.686 CC(C)CCNC(=O)[C@H](C)N(C)C 527a_100000210545_100009822176 [0,1,0,0,0,0|3,0,0]=4 767 B12R0.686 CC(C)CCNC(=O)[C@H](O)C(C)C 240690a_100000210545_100000691806 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.686 CC(C)CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210312 [0,1,0,0,0,0|2,0,1]=4 769 B12R0.686 CC(C)COCC(=O)C(C)C(=O)N 1458a_100011223364_100000702099 [0,1,0,0,0,0|3,0,0]=4 770 B12R0.686 CC(C)COCC(=O)C(F)C(=O)N 1458a_100011223364_100009813875 [0,1,0,0,0,0|3,0,0]=4 771 B12R0.686 CC(C)COCC(=O)C(F)C(=O)[O-] 1458a_100011223364_100020610796 [0,1,0,0,0,0|3,0,0]=4 772 B12R0.687 C=C(C)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000748629 [0,1,0,0,0,0|3,0,0]=4 773 B12R0.687 CC(=CC(=O)NCC(O)C(C)C)C 11a_100000759067_100000211388 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.687 CC(=CC(=O)NCC(O)C(C)C)C 240690a_100000759067_100000211388 [0,1,0,0,0,0|2,0,1]=4 775 B12R0.687 CC(=CC(=O)NCC(O)C(C)C)Cl 11a_100000759067_200042562850 [0,1,0,0,0,0|2,0,1]=4 776 B12R0.687 CC(=CC(=O)NCC(O)C(C)C)Cl 240690a_100000759067_200042562850 [0,1,0,0,0,0|2,0,1]=4 777 B12R0.687 CC(=CC(=O)NCC(O)C(C)C)I 11a_100000759067_100025716642 [0,1,0,0,0,0|2,0,1]=4 778 B12R0.687 CC(=O)CC(=O)NNC(=O)C(C)C 1458a_100000070787_100000102125 [0,1,0,0,0,0|2,0,1]=4 779 B12R0.687 CC(=O)NC(=O)COC(C)C(C)C 7a_100000748068_100000183797 [0,1,0,0,0,0|3,0,0]=4 780 B12R0.687 CC(C)C(O)CNC(=O)CC(=O)N 240690a_100000759067_100134613110 [0,1,0,0,0,0|2,0,0]=3 781 B12R0.687 CC(C)C(O)CNC(=O)CC(=O)N 527a_100000759067_100134613110 [0,1,0,0,0,0|2,0,0]=3 782 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 11a_100000759067_100000750896 [0,1,0,0,0,0|3,0,0]=4 783 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 240690a_100000759067_100000750896 [0,1,0,0,0,0|3,0,0]=4 784 B12R0.687 CC(C)C(O)CNC(=O)CN(C)C 527a_100000759067_100000750896 [0,1,0,0,0,0|3,0,0]=4 785 B12R0.687 CC(C)C(O)CNC(=O)C[C@@H](C)O 240690a_100000759067_100011933948 [0,1,0,0,0,0|1,0,2]=4 786 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 11a_100000759067_200159257847 [0,1,0,0,0,0|3,0,0]=4 787 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 240690a_100000759067_200159257847 [0,1,0,0,0,0|3,0,0]=4 788 B12R0.687 CC(C)C(O)CNC(=O)C[S+](C)C 527a_100000759067_200159257847 [0,1,0,0,0,0|3,0,0]=4 789 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 11a_100000759067_100000210554 [0,1,0,0,0,0|2,0,1]=4 790 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210554 [0,1,0,0,0,0|2,0,1]=4 791 B12R0.687 CC(C)CC(=O)NCC(O)C(C)C 527a_100000759067_100000210554 [0,1,0,0,0,0|2,0,1]=4 792 B12R0.687 CC(C)N(C)CCC(=O)CC(=O)N 1458a_100015184040_100000187820 [0,1,0,0,0,0|3,0,0]=4 793 B12R0.687 CC(C)N(C)CCC(=O)CC(=O)[O-] 1458a_100015184040_100020667443 [0,1,0,0,0,0|3,0,0]=4 794 B12R0.697 CC(=O)CC(C)(C)OCCC(C)C 7a_100000210262_100000210626 [0,1,0,0,0,0|1,0,1]=3 795 B12R0.697 CC(=O)CC(C)(C)OCCC(C)O 7a_100000210262_100012276601 [0,1,0,0,0,0|2,0,1]=4 796 B12R0.697 CC(=O)CC(C)(C)OCCN(C)C 7a_100000210262_100000755713 [0,1,0,0,0,0|2,0,1]=4 797 B12R1.103 C=C(C)CC(=O)C1CCC(C1)O 1458a_100000688591_100000748629 [0,0,0,1,0,0|3,0,0]=4 798 B12R1.103 C=C(C)CC(=O)C1CCN(C1)C 1458a_100000739633_100000748629 [0,0,0,1,0,0|3,0,0]=4 799 B12R1.103 CC(=CC(=O)N1CC[C@H](C1)C)C 11a_100016987628_100000211388 [0,0,0,1,0,0|2,0,1]=4 800 B12R1.103 CC(=CC(=O)N1CC[C@H](C1)C)C 240690a_100016987628_100000211388 [0,0,0,1,0,0|2,0,1]=4 801 B12R1.103 CC(=CC(=O)N1CC[C@H](C1)C)Cl 11a_100016987628_200042562850 [0,0,0,1,0,0|2,0,1]=4 802 B12R1.103 CC(=CC(=O)N1CC[C@H](C1)C)Cl 240690a_100016987628_200042562850 [0,0,0,1,0,0|2,0,1]=4 803 B12R1.103 CC(=CC(=O)N1CC[C@H](C1)C)I 11a_100016987628_100025716642 [0,0,0,1,0,0|2,0,1]=4 804 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210554 [0,0,0,1,0,0|2,0,1]=4 805 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210554 [0,0,0,1,0,0|2,0,1]=4 806 B12R1.103 CC(C)CC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210554 [0,0,0,1,0,0|2,0,1]=4 807 B12R1.103 CN1CCC(C1)C(=O)CC(=O)N 1458a_100000739633_100000187820 [0,0,0,1,0,0|3,0,0]=4 808 B12R1.103 CN1CCC(C1)C(=O)CC(=O)[O-] 1458a_100000739633_100020667443 [0,0,0,1,0,0|3,0,0]=4 809 B12R1.103 C[C@@H]1CCN(C1)C(=O)CC(=O)N 240690a_100016987628_100134613110 [0,0,0,1,0,0|2,0,0]=3 810 B12R1.103 C[C@@H]1CCN(C1)C(=O)CC(=O)N 527a_100016987628_100134613110 [0,0,0,1,0,0|2,0,0]=3 811 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 11a_100016987628_100000750896 [0,0,0,1,0,0|3,0,0]=4 812 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 240690a_100016987628_100000750896 [0,0,0,1,0,0|3,0,0]=4 813 B12R1.103 C[C@@H]1CCN(C1)C(=O)CN(C)C 527a_100016987628_100000750896 [0,0,0,1,0,0|3,0,0]=4 814 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[C@@H](C)O 240690a_100016987628_100011933948 [0,0,0,1,0,0|1,0,2]=4 815 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 11a_100016987628_200159257847 [0,0,0,1,0,0|3,0,0]=4 816 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 240690a_100016987628_200159257847 [0,0,0,1,0,0|3,0,0]=4 817 B12R1.103 C[C@@H]1CCN(C1)C(=O)C[S+](C)C 527a_100016987628_200159257847 [0,0,0,1,0,0|3,0,0]=4 818 B12R1.103 NC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000187820 [0,0,0,1,0,0|3,0,0]=4 819 B12R1.103 NC(=O)CC(=O)N1CCC(C1)O 240690a_100011215560_100134613110 [0,0,0,1,0,0|3,0,0]=4 820 B12R1.103 NC(=O)CC(=O)N1CCC(C1)O 527a_100011215560_100134613110 [0,0,0,1,0,0|3,0,0]=4 821 B12R1.103 NC(=O)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100134613110 [0,0,0,1,0,0|3,0,0]=4 822 B12R1.103 NC(=O)CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100134613110 [0,0,0,1,0,0|3,0,0]=4 823 B12R1.103 O=C([O-])CC(=O)C1CCC(C1)O 1458a_100000688591_100020667443 [0,0,0,1,0,0|3,0,0]=4 824 B12R1.105 CC(C)CCOC1CCC(=O)C1 34a_100012614533_100000210312 [0,0,0,1,0,0|1,0,1]=3 825 B12R1.105 CC(C)CCOC1CNC(=O)C1 34a_100000690082_100000210312 [0,0,0,1,0,0|2,0,1]=4 826 B12R1.105 CC(C)OCOC1CCC(=O)C1 34a_100012614533_100000709892 [0,0,0,1,0,0|2,0,1]=4 827 B12R1.105 CC(O)CCOC1CCC(=O)C1 34a_100012614533_100012276601 [0,0,0,1,0,0|2,0,1]=4 828 B12R1.389 CC(=O)Cc1nc(no1)C(C)C 1458a_100000070787_100000735703 [0,0,0,1,0,0|2,0,1]=4 829 B12R1.861 CC(C)CNC1CC(=O)NC1=O 2230a_100102712934_100000210760 [0,0,0,1,0,0|3,0,0]=4 830 B12R1.1061 CC(=O)NC(=O)CN1CC(C1)C 269982a_100000702820_100000183797 [0,0,0,1,0,0|3,0,0]=4 831 B12R1.1061 CN1CC(C1)NC(=O)CC(=O)N 240690a_100015196640_100134613110 [0,0,0,1,0,0|3,0,0]=4 832 B12R1.1061 NC(=O)CC(=O)NC1CC(C1)F 240690a_100016993743_100134613110 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.1061 NC(=O)CC(=O)NC1CC(C1)F 527a_100016993743_100134613110 [0,0,0,1,0,0|3,0,0]=4 834 B12R1.1061 NC(=O)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100134613110 [0,0,0,1,0,0|3,0,0]=4 835 B12R1.1061 NC(=O)CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100134613110 [0,0,0,1,0,0|3,0,0]=4 836 B12R1.1238 CC(C)CCCC(=O)C1CC1C 1458a_100000211227_100011214892 [0,0,0,1,0,0|2,0,1]=4 837 B12R1.1238 CC(C)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011214892 [0,0,0,1,0,0|2,0,1]=4 838 B12R1.1238 CC(C)CCNC(=O)C1CC1C 11a_100000210545_100000211227 [0,0,0,1,0,0|2,0,1]=4 839 B12R1.1238 CC(C)CCNC(=O)C1CC1C 1626a_100000210545_100000211227 [0,0,0,1,0,0|2,0,1]=4 840 B12R1.1238 CC(C)CCNC(=O)C1CC1C 527a_100000210545_100000211227 [0,0,0,1,0,0|2,0,1]=4 841 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 11a_100000210545_100015396687 [0,0,0,1,0,0|2,0,1]=4 842 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000210545_100015396687 [0,0,0,1,0,0|2,0,1]=4 843 B12R1.1238 CC(C)CCNC(=O)[C@@H]1C[C@@H]1F 527a_100000210545_100015396687 [0,0,0,1,0,0|2,0,1]=4 844 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100000738066_100011214892 [0,0,0,1,0,0|2,0,1]=4 845 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100011216857_100000742324 [0,0,0,1,0,0|2,0,1]=4 846 B12R1.1359 CC(C)CCCC(=O)CC1CO1 1458a_100011216857_100011216344 [0,0,0,1,0,0|1,0,2]=4 847 B12R1.1359 CC(C)CCCC(=O)CC1CS1 1458a_100011216857_100000031435 [0,0,0,1,0,0|1,1,1]=4 848 B12R1.1359 CC(C)CCCC(=O)C[C@@H]1CO1 1458a_100011216857_100000745022 [0,0,0,1,0,0|1,0,2]=4 849 B12R1.1359 CC(C)CCNC(=O)CC1CC1 11a_100000210545_100000738066 [0,0,0,1,0,0|2,0,1]=4 850 B12R1.1359 CC(C)CCNC(=O)CC1CC1 1626a_100000210545_100000738066 [0,0,0,1,0,0|2,0,1]=4 851 B12R1.1359 CC(C)CCNC(=O)CC1CC1 240690a_100000210545_100000738066 [0,0,0,1,0,0|2,0,1]=4 852 B12R1.1359 CC(C)CCNC(=O)CC1CC1 527a_100000210545_100000738066 [0,0,0,1,0,0|2,0,1]=4 853 B12R1.1377 C=C(C)CC(=O)CSCC1CC1 1458a_200011316215_100000748629 [0,0,0,1,0,0|3,0,0]=4 854 B12R1.1377 CC(=CC(=O)NCCC1CC1)C 1626a_100000764129_100000211388 [0,0,0,1,0,0|2,0,1]=4 855 B12R1.1377 CC(=CC(=O)NCCC1CC1)C 240690a_100000764129_100000211388 [0,0,0,1,0,0|2,0,1]=4 856 B12R1.1377 CC(=CC(=O)NCCC1CC1)Cl 1626a_100000764129_200042562850 [0,0,0,1,0,0|2,0,1]=4 857 B12R1.1377 CC(=CC(=O)NCCC1CC1)Cl 240690a_100000764129_200042562850 [0,0,0,1,0,0|2,0,1]=4 858 B12R1.1377 CC(=CC(=O)NCCC1CC1)I 1626a_100000764129_100025716642 [0,0,0,1,0,0|2,0,1]=4 859 B12R1.1377 CC(=O)NC(=O)CSCC1CC1 62a_100000756562_100000183797 [0,0,0,1,0,0|3,0,0]=4 860 B12R1.1377 CC(C)CC(=O)NCCC1CC1 1626a_100000764129_100000210554 [0,0,0,1,0,0|2,0,1]=4 861 B12R1.1377 CC(C)CC(=O)NCCC1CC1 240690a_100000764129_100000210554 [0,0,0,1,0,0|2,0,1]=4 862 B12R1.1377 CC(C)CC(=O)NCCC1CC1 527a_100000764129_100000210554 [0,0,0,1,0,0|2,0,1]=4 863 B12R1.1377 CN(C)CC(=O)NCCC1CC1 240690a_100000764129_100000750896 [0,0,0,1,0,0|3,0,0]=4 864 B12R1.1377 CN(C)CC(=O)NCCC1CC1 527a_100000764129_100000750896 [0,0,0,1,0,0|3,0,0]=4 865 B12R1.1377 C[C@@H](O)CC(=O)NCCC1CC1 240690a_100000764129_100011933948 [0,0,0,1,0,0|1,0,2]=4 866 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 1626a_100000764129_200159257847 [0,0,0,1,0,0|3,0,0]=4 867 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 240690a_100000764129_200159257847 [0,0,0,1,0,0|3,0,0]=4 868 B12R1.1377 C[S+](C)CC(=O)NCCC1CC1 527a_100000764129_200159257847 [0,0,0,1,0,0|3,0,0]=4 869 B12R1.1377 NC(=O)CC(=O)CCCC1CO1 1458a_100134613110_100000733510 [0,0,0,1,0,0|3,0,0]=4 870 B12R1.1377 NC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000187820 [0,0,0,1,0,0|3,0,0]=4 871 B12R1.1377 NC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100134613110 [0,0,0,1,0,0|2,0,0]=3 872 B12R1.1377 NC(=O)CC(=O)NCCC1CC1 527a_100000764129_100134613110 [0,0,0,1,0,0|2,0,0]=3 873 B12R1.1377 NC(=O)CC(=O)NNCC1CC1 22a_100000736359_100134613110 [0,0,0,1,0,0|3,0,0]=4 874 B12R1.1377 O=C([O-])CC(=O)CSCC1CC1 1458a_200011316215_100020667443 [0,0,0,1,0,0|3,0,0]=4 875 B10R0.96 C=C(C)CC(=O)C=CC(C)C 1458a_100016268746_100000748629 [0,0,0,0,1,0|1,0,2]=4 876 B10R0.96 C=C(C)CC(=O)CC=C(C)C 1458a_100011220947_100000748629 [0,0,0,0,1,0|1,0,2]=4 877 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,0,0,0,1,0|1,0,0]=2 878 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,0,0,0,1,0|2,0,0]=3 879 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,0,0,0,1,0|2,0,0]=3 880 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,0,0,0,1,0|2,0,0]=3 881 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,0,0,0,1,0|1,0,2]=4 882 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_100134613110_100000730704 [0,0,0,0,1,0|1,0,2]=4 883 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_200000688413_100000187820 [0,0,0,0,1,0|1,0,2]=4 884 B10R0.96 C=C(C)CCC(=O)CC(=O)[O-] 1458a_200000688413_100020667443 [0,0,0,0,1,0|1,0,2]=4 885 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000225649_100000210312 [0,0,0,0,1,0|3,0,0]=4 886 B10R0.96 C=C(C)CN(C)CCC(C)C 2230a_100000742789_100000748629 [0,0,0,0,1,0|3,0,0]=4 887 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000225649_100000210312 [0,0,0,0,1,0|3,0,0]=4 888 B10R0.96 C=C(C)CN(C)CCC(C)C 269982a_100000742789_100000748629 [0,0,0,0,1,0|3,0,0]=4 889 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,0,0,0,1,0|1,0,1]=3 890 B10R0.96 C=C(F)CC(=O)CC[S+](C)C 1458a_100009452791_100009893438 [0,0,0,0,1,0|2,0,1]=4 891 B10R0.96 C=C(F)CC(=O)COC(C)C 1458a_100000745533_100009893438 [0,0,0,0,1,0|2,0,1]=4 892 B10R0.96 C=C(F)CC(=O)CSC(C)C 1458a_100000241585_100009893438 [0,0,0,0,1,0|2,0,1]=4 893 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,0,0,0,1,0|1,0,1]=3 894 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,0,0,0,1,0|1,0,1]=3 895 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,0,0,0,1,0|1,0,1]=3 896 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,0,0,0,1,0|2,0,1]=4 897 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,0,0,0,1,0|2,0,1]=4 898 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,0,0,0,1,0|2,0,1]=4 899 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,0,0,0,1,0|2,0,1]=4 900 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,0,0,0,1,0|2,0,1]=4 901 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,0,0,0,1,0|2,0,1]=4 902 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,0,0,0,1,0|2,0,1]=4 903 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,0,0,0,1,0|2,0,1]=4 904 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,0,0,0,1,0|2,0,1]=4 905 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,0,0,0,1,0|2,0,1]=4 906 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,0,0,0,1,0|2,0,1]=4 907 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,0,0,0,1,0|1,0,2]=4 908 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,0,0,0,1,0|1,0,2]=4 909 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,0,0,0,1,0|1,0,2]=4 910 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,0,0,0,1,0|1,0,0]=2 911 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,0,0,0,1,0|2,0,0]=3 912 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,1,0|2,0,1]=4 913 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,1,0|2,0,1]=4 914 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,1,0|2,0,1]=4 915 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,1,0|2,0,1]=4 916 B10R0.96 CC(C)C=CC(=O)CC(=O)N 1458a_100016268746_100000187820 [0,0,0,0,1,0|1,0,2]=4 917 B10R0.96 CC(C)C=CC(=O)CC(=O)[O-] 1458a_100016268746_100020667443 [0,0,0,0,1,0|1,0,2]=4 918 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,0,0,0,1,0|2,0,1]=4 919 B10R0.96 CC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000210624 [0,0,0,0,1,0|2,0,1]=4 920 B10R0.96 CC(C)CC(=O)COC(C)C 1458a_100000745533_100000210624 [0,0,0,0,1,0|2,0,1]=4 921 B10R0.96 CC(C)CC(=O)CSC(C)C 1458a_100000241585_100000210624 [0,0,0,0,1,0|2,0,1]=4 922 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,0,0,0,1,0|2,0,1]=4 923 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,0,0,0,1,0|1,0,0]=2 924 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,0,0,0,1,0|1,0,0]=2 925 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,0,0,0,1,0|1,0,0]=2 926 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,0,0,0,1,0|1,0,1]=3 927 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,0,0,0,1,0|1,0,1]=3 928 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,0,0,0,1,0|0,0,2]=3 929 B10R0.96 CC(C)CCC(=O)CC(F)F 1458a_100000181311_100011934356 [0,0,0,0,1,0|2,0,1]=4 930 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,0,0,0,1,0|2,0,0]=3 931 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,0,0,0,1,0|0,0,2]=3 932 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,0,0,0,1,0|2,0,0]=3 933 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,0,0,0,1,0|2,0,0]=3 934 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,0,0,0,1,0|2,0,1]=4 935 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,0,0,0,1,0|2,0,1]=4 936 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,0,0,0,1,0|2,0,1]=4 937 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,0,0,0,1,0|2,0,1]=4 938 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,0,0,0,1,0|3,0,0]=4 939 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,0,0,0,1,0|3,0,0]=4 940 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,0,0,0,1,0|3,0,0]=4 941 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,1,0|3,0,0]=4 942 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,0,0,0,1,0|3,0,0]=4 943 B10R0.96 CC(C)CNC(=O)CC(=O)N 240690a_100000210953_100134613110 [0,0,0,0,1,0|2,0,0]=3 944 B10R0.96 CC(C)CNC(=O)CC(=O)N 527a_100000210953_100134613110 [0,0,0,0,1,0|2,0,0]=3 945 B10R0.96 CC(C)CNC(=O)CC(C)C 11a_100000210953_100000210554 [0,0,0,0,1,0|2,0,1]=4 946 B10R0.96 CC(C)CNC(=O)CC(C)C 1626a_100000210953_100000210554 [0,0,0,0,1,0|2,0,1]=4 947 B10R0.96 CC(C)CNC(=O)CC(C)C 240690a_100000210953_100000210554 [0,0,0,0,1,0|2,0,1]=4 948 B10R0.96 CC(C)CNC(=O)CC(C)C 527a_100000210953_100000210554 [0,0,0,0,1,0|2,0,1]=4 949 B10R0.96 CC(C)CNC(=O)CN(C)C 11a_100000210953_100000750896 [0,0,0,0,1,0|3,0,0]=4 950 B10R0.96 CC(C)CNC(=O)CN(C)C 2230a_100102631434_100000183291 [0,0,0,0,1,0|3,0,0]=4 951 B10R0.96 CC(C)CNC(=O)CN(C)C 240690a_100000210953_100000750896 [0,0,0,0,1,0|3,0,0]=4 952 B10R0.96 CC(C)CNC(=O)CN(C)C 269982a_100102631434_100000183291 [0,0,0,0,1,0|3,0,0]=4 953 B10R0.96 CC(C)CNC(=O)CN(C)C 527a_100000210953_100000750896 [0,0,0,0,1,0|3,0,0]=4 954 B10R0.96 CC(C)CNC(=O)C[C@@H](C)O 240690a_100000210953_100011933948 [0,0,0,0,1,0|1,0,2]=4 955 B10R0.96 CC(C)CNC(=O)C[S+](C)C 11a_100000210953_200159257847 [0,0,0,0,1,0|3,0,0]=4 956 B10R0.96 CC(C)CNC(=O)C[S+](C)C 1626a_100000210953_200159257847 [0,0,0,0,1,0|3,0,0]=4 957 B10R0.96 CC(C)CNC(=O)C[S+](C)C 240690a_100000210953_200159257847 [0,0,0,0,1,0|3,0,0]=4 958 B10R0.96 CC(C)CNC(=O)C[S+](C)C 527a_100000210953_200159257847 [0,0,0,0,1,0|3,0,0]=4 959 B10R0.96 CC(C)NCC(=O)NC(=O)N 2230a_100138425928_100000182717 [0,0,0,0,1,0|3,0,0]=4 960 B10R0.96 CC(C)NNC(=O)CC(=O)N 22a_100000741168_100134613110 [0,0,0,0,1,0|3,0,0]=4 961 B10R0.96 CC(C)OCC(=O)CC(=O)N 1458a_100000745533_100000187820 [0,0,0,0,1,0|2,0,0]=3 962 B10R0.96 CC(C)OCC(=O)CC(=O)[O-] 1458a_100000745533_100020667443 [0,0,0,0,1,0|2,0,0]=3 963 B10R0.96 CC(C)OCC(=O)C[N+](=O)[O-] 1458a_100000745533_100000761209 [0,0,0,0,1,0|3,0,0]=4 964 B10R0.96 CC(C)SCC(=O)CC(=O)N 1458a_100000241585_100000187820 [0,0,0,0,1,0|2,0,0]=3 965 B10R0.96 CC(C)SCC(=O)CC(=O)[O-] 1458a_100000241585_100020667443 [0,0,0,0,1,0|2,0,0]=3 966 B10R0.96 CC(C)SCC(=O)C[N+](=O)[O-] 1458a_100000241585_100000761209 [0,0,0,0,1,0|3,0,0]=4 967 B10R0.96 CC(C)SCC(=O)NC(=O)N 62a_100000210206_100000182717 [0,0,0,0,1,0|3,0,0]=4 968 B10R0.96 CC(O)CC(=O)CC[S+](C)C 1458a_100009452791_100011218427 [0,0,0,0,1,0|1,0,2]=4 969 B10R0.96 CC(O)CC(=O)COC(C)C 1458a_100000745533_100011218427 [0,0,0,0,1,0|1,0,2]=4 970 B10R0.96 CC(O)CC(=O)CSC(C)C 1458a_100000241585_100011218427 [0,0,0,0,1,0|1,0,2]=4 971 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,0,0,0,1,0|2,0,0]=3 972 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,0,0,0,1,0|3,0,0]=4 973 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,0,0,0,1,0|1,0,2]=4 974 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,0,0,0,1,0|3,0,0]=4 975 B10R0.96 CC(O)CNC(=O)CC(=O)N 240690a_100000210904_100134613110 [0,0,0,0,1,0|3,0,0]=4 976 B10R0.96 CC(O)CNC(=O)CC(=O)N 527a_100000210904_100134613110 [0,0,0,0,1,0|3,0,0]=4 977 B10R0.96 CN(C)CCC(=O)NC(=O)N 2230a_100102631434_100000237605 [0,0,0,0,1,0|3,0,0]=4 978 B10R0.96 CN(C)CCC(=O)NC(=O)N 269982a_100102631434_100000237605 [0,0,0,0,1,0|3,0,0]=4 979 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,0,0,0,1,0|2,0,0]=3 980 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,0,0,0,1,0|2,0,0]=3 981 B10R0.96 C[S+](C)CCC(=O)C[N+](=O)[O-] 1458a_100009452791_100000761209 [0,0,0,0,1,0|3,0,0]=4 982 B10R0.98 C=C(Br)C(=O)NCCC(C)C 11a_100000210545_100009813364 [0,0,0,0,1,0|2,0,1]=4 983 B10R0.98 C=C(Br)C(=O)NCCC(C)C 1626a_100000210545_100009813364 [0,0,0,0,1,0|2,0,1]=4 984 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,0,0,0,1,0|2,0,0]=3 985 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,0,0,0,1,0|3,0,0]=4 986 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,0,0,0,1,0|3,0,0]=4 987 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,0,0,0,1,0|3,0,0]=4 988 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,0,0,0,1,0|3,0,0]=4 989 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,0,0,0,1,0|2,0,0]=3 990 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,0,0,0,1,0|2,0,0]=3 991 B10R0.98 C=C(C)C(=O)NNCC(C)C 22a_100000696102_100000185857 [0,0,0,0,1,0|3,0,0]=4 992 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,0,0,0,1,0|2,0,1]=4 993 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [0,0,0,0,1,0|2,0,0]=3 994 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [0,0,0,0,1,0|2,0,0]=3 995 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 11a_100000210545_100000039160 [0,0,0,0,1,0|2,0,1]=4 996 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 1626a_100000210545_100000039160 [0,0,0,0,1,0|2,0,1]=4 997 B10R0.98 C=C(F)C(=O)NCCC(C)C 11a_100000210545_100000036797 [0,0,0,0,1,0|2,0,1]=4 998 B10R0.98 C=C(F)C(=O)NCCC(C)C 1626a_100000210545_100000036797 [0,0,0,0,1,0|2,0,1]=4 999 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,0,0,0,1,0|2,0,0]=3 1000 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,0,0,0,1,0|3,0,0]=4 1001 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,0,0,0,1,0|3,0,0]=4 1002 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,0,0,0,1,0|2,0,0]=3 1003 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,0,0,0,1,0|3,0,0]=4 1004 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,0,0,0,1,0|3,0,0]=4 1005 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,0,0,0,1,0|3,0,0]=4 1006 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,0,0,0,1,0|2,0,0]=3 1007 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,0,0,0,1,0|2,0,0]=3 1008 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,0,0,0,1,0|3,0,0]=4 1009 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,0,0,0,1,0|3,0,0]=4 1010 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,0,0,0,1,0|3,0,0]=4 1011 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,0,0,0,1,0|3,0,0]=4 1012 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,0,0,0,1,0|1,0,1]=3 1013 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,0,0,0,1,0|1,0,1]=3 1014 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,0,0,0,1,0|2,0,1]=4 1015 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,0,0,0,1,0|2,0,1]=4 1016 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,0,0,0,1,0|1,1,1]=4 1017 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,0,0,0,1,0|1,1,1]=4 1018 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,0,0,0,1,0|2,0,1]=4 1019 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,0,0,0,1,0|2,0,1]=4 1020 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,0,0,0,1,0|2,0,1]=4 1021 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,0,0,0,1,0|3,0,0]=4 1022 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,0,0,0,1,0|3,0,0]=4 1023 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,0,0,0,1,0|3,0,0]=4 1024 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,0,0,0,1,0|3,0,0]=4 1025 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,0,0,0,1,0|1,0,2]=4 1026 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,0,0,0,1,0|1,0,2]=4 1027 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,0,0,0,1,0|2,0,0]=3 1028 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,0,0,0,1,0|2,0,1]=4 1029 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,0,0,0,1,0|2,0,1]=4 1030 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,0,0,0,1,0|2,0,1]=4 1031 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,0,0,0,1,0|2,0,1]=4 1032 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,0,0,0,1,0|2,0,1]=4 1033 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,0,0,0,1,0|2,0,1]=4 1034 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,0,0,0,1,0|2,0,1]=4 1035 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,0,0,0,1,0|2,0,1]=4 1036 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,0,0,0,1,0|3,0,0]=4 1037 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,0,0,0,1,0|1,0,2]=4 1038 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,0,0,0,1,0|1,0,2]=4 1039 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,0,0,0,1,0|1,0,2]=4 1040 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,0,0,0,1,0|2,0,1]=4 1041 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,0,0,0,1,0|2,0,1]=4 1042 B10R0.98 CC(C)CCOC(F)C(=O)N 34a_100000210254_100009813875 [0,0,0,0,1,0|2,0,1]=4 1043 B10R0.98 CC(C)CCOC(F)C(=O)N 7a_100000210254_100009813875 [0,0,0,0,1,0|2,0,1]=4 1044 B10R0.98 CC(C)CCOC(F)C(=O)[O-] 34a_100000210254_100020610796 [0,0,0,0,1,0|2,0,1]=4 1045 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,0,0,0,1,0|2,0,1]=4 1046 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,0,0,0,1,0|2,0,1]=4 1047 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,0,0,0,1,0|2,0,1]=4 1048 B10R0.98 CC(C)CNNC(=O)C(=O)N 22a_100000696102_100011215815 [0,0,0,0,1,0|3,0,0]=4 1049 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000139345_100000210206 [0,0,0,0,1,0|2,0,1]=4 1050 B10R0.98 CC(C)SCOC(=O)C(C)C 62a_100000210206_100000139345 [0,0,0,0,1,0|2,0,1]=4 1051 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,0,0,0,1,0|3,0,0]=4 1052 B10R0.98 CN(C)CCNC(=O)C(=O)N 240690a_100000210585_100011215815 [0,0,0,0,1,0|3,0,0]=4 1053 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,0,0,0,0,1|2,0,0]=3 1054 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,0,0,0,0,1|2,0,0]=3 1055 B12R0.44 C=C(C)CCC(=O)CCCC(C)O 1458a_200000688413_200000718107 [0,0,0,0,0,1|3,0,0]=4 1056 B12R0.44 C=C(C)CCC(=O)CCCN(C)C 1458a_200000688413_100000695564 [0,0,0,0,0,1|3,0,0]=4 1057 B12R0.44 C=C(C)CCC(=O)CCOC(C)C 1458a_200000688413_100000211751 [0,0,0,0,0,1|3,0,0]=4 1058 B12R0.44 C=C(C)CCC(=O)CCSC(C)C 1458a_200000688413_100000730970 [0,0,0,0,0,1|3,0,0]=4 1059 B12R0.44 C=C(C)CCC(=O)COCC(C)C 1458a_100011223364_100000730704 [0,0,0,0,0,1|3,0,0]=4 1060 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 11a_100000210545_200000688413 [0,0,0,0,0,1|2,0,0]=3 1061 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 1626a_100000210545_200000688413 [0,0,0,0,0,1|2,0,0]=3 1062 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 240690a_100000210545_200000688413 [0,0,0,0,0,1|2,0,0]=3 1063 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 527a_100000210545_200000688413 [0,0,0,0,0,1|2,0,0]=3 1064 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 240690a_200000755665_200000688413 [0,0,0,0,0,1|3,0,0]=4 1065 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 527a_200000755665_200000688413 [0,0,0,0,0,1|3,0,0]=4 1066 B12R0.44 C=C(C)CCC(=O)NCCN(C)C 240690a_100000210585_200000688413 [0,0,0,0,0,1|3,0,0]=4 1067 B12R0.44 C=C(C)CCC(=O)NCCN(C)C 527a_100000210585_200000688413 [0,0,0,0,0,1|3,0,0]=4 1068 B12R0.44 C=C(C)CCC(=O)NNCC(C)C 22a_100000696102_200000688413 [0,0,0,0,0,1|3,0,0]=4 1069 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 11a_100000765925_100011216857 [0,0,0,0,0,1|2,0,0]=3 1070 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 1626a_100000765925_100011216857 [0,0,0,0,0,1|2,0,0]=3 1071 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 240690a_100000765925_100011216857 [0,0,0,0,0,1|2,0,0]=3 1072 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 527a_100000765925_100011216857 [0,0,0,0,0,1|2,0,0]=3 1073 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 1626a_100000765925_100000761597 [0,0,0,0,0,1|3,0,0]=4 1074 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 527a_100000765925_100000761597 [0,0,0,0,0,1|3,0,0]=4 1075 B12R0.44 C=C(C)CNC(=O)CCCN(C)C 11a_100000765925_100000740757 [0,0,0,0,0,1|3,0,0]=4 1076 B12R0.44 C=C(C)CNC(=O)CCCN(C)C 240690a_100000765925_100000740757 [0,0,0,0,0,1|3,0,0]=4 1077 B12R0.44 C=C(C)CNC(=O)COCC(C)C 11a_100000765925_100011223364 [0,0,0,0,0,1|3,0,0]=4 1078 B12R0.44 C=C(C)CNC(=O)COCC(C)C 1626a_100000765925_100011223364 [0,0,0,0,0,1|3,0,0]=4 1079 B12R0.44 C=C(C)CNC(=O)COCC(C)C 240690a_100000765925_100011223364 [0,0,0,0,0,1|3,0,0]=4 1080 B12R0.44 C=C(C)CNC(=O)COCC(C)C 527a_100000765925_100011223364 [0,0,0,0,0,1|3,0,0]=4 1081 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000210545_100000765925 [0,0,0,0,0,1|2,0,0]=3 1082 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000765925_100000210545 [0,0,0,0,0,1|2,0,0]=3 1083 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000210545_100000765925 [0,0,0,0,0,1|2,0,0]=3 1084 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000765925_100000210545 [0,0,0,0,0,1|2,0,0]=3 1085 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000210545_100000765925 [0,0,0,0,0,1|2,0,0]=3 1086 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000765925_100000210545 [0,0,0,0,0,1|2,0,0]=3 1087 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 2708a_100000765925_200000755665 [0,0,0,0,0,1|3,0,0]=4 1088 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 273464a_200000755665_100000765925 [0,0,0,0,0,1|3,0,0]=4 1089 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 512a_100000765925_200000755665 [0,0,0,0,0,1|3,0,0]=4 1090 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 512a_200000755665_100000765925 [0,0,0,0,0,1|3,0,0]=4 1091 B12R0.44 C=C(C)CNC(=O)NCCN(C)C 2708a_100000765925_100000210585 [0,0,0,0,0,1|3,0,0]=4 1092 B12R0.44 C=C(C)CNC(=O)NCCN(C)C 273464a_100000210585_100000765925 [0,0,0,0,0,1|3,0,0]=4 1093 B12R0.44 C=C(C)CNC(=O)NCCN(C)C 273464a_100000765925_100000210585 [0,0,0,0,0,1|3,0,0]=4 1094 B12R0.44 C=C(C)CNC(=O)NCCN(C)C 512a_100000765925_100000210585 [0,0,0,0,0,1|3,0,0]=4 1095 B12R0.44 C=C(C)CNC(=O)NNCC(C)C 273464a_100000765925_100000696102 [0,0,0,0,0,1|3,0,0]=4 1096 B12R0.44 C=C(C)CNC(=O)NNCC(C)C 512a_100000696102_100000765925 [0,0,0,0,0,1|3,0,0]=4 1097 B12R0.44 C=C(C)CNC(=O)NNCC(C)C 512a_100000765925_100000696102 [0,0,0,0,0,1|3,0,0]=4 1098 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011216857_100000761012 [0,0,0,0,0,1|2,0,0]=3 1099 B12R0.44 CC(=CCC(=O)CCCC(C)C)C 1458a_100011220947_100011214892 [0,0,0,0,0,1|2,0,0]=3 1100 B12R0.44 CC(=CCC(=O)CCCC(C)O)C 1458a_100011220947_200000718107 [0,0,0,0,0,1|3,0,0]=4 1101 B12R0.44 CC(=CCC(=O)CCCN(C)C)C 1458a_100011220947_100000695564 [0,0,0,0,0,1|3,0,0]=4 1102 B12R0.44 CC(=CCC(=O)CCOC(C)C)C 1458a_100011220947_100000211751 [0,0,0,0,0,1|3,0,0]=4 1103 B12R0.44 CC(=CCC(=O)CCSC(C)C)C 1458a_100011220947_100000730970 [0,0,0,0,0,1|3,0,0]=4 1104 B12R0.44 CC(=CCC(=O)COCC(C)C)C 1458a_100011223364_100000761012 [0,0,0,0,0,1|3,0,0]=4 1105 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 11a_100000210545_100011220947 [0,0,0,0,0,1|2,0,0]=3 1106 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 1626a_100000210545_100011220947 [0,0,0,0,0,1|2,0,0]=3 1107 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 240690a_100000210545_100011220947 [0,0,0,0,0,1|2,0,0]=3 1108 B12R0.44 CC(=CCC(=O)NCCC(C)C)C 527a_100000210545_100011220947 [0,0,0,0,0,1|2,0,0]=3 1109 B12R0.44 CC(=CCC(=O)NCCC(C)O)C 240690a_200000755665_100011220947 [0,0,0,0,0,1|3,0,0]=4 1110 B12R0.44 CC(=CCC(=O)NCCC(C)O)C 527a_200000755665_100011220947 [0,0,0,0,0,1|3,0,0]=4 1111 B12R0.44 CC(=CCC(=O)NCCN(C)C)C 240690a_100000210585_100011220947 [0,0,0,0,0,1|3,0,0]=4 1112 B12R0.44 CC(=CCC(=O)NCCN(C)C)C 527a_100000210585_100011220947 [0,0,0,0,0,1|3,0,0]=4 1113 B12R0.44 CC(=CCC(=O)NNCC(C)C)C 22a_100000696102_100011220947 [0,0,0,0,0,1|3,0,0]=4 1114 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,0,0,0,0,1|2,0,1]=4 1115 B12R0.44 CC(=O)CCCC(=O)CNC(=O)C 1458a_100000194580_100011215641 [0,0,0,0,0,1|2,0,1]=4 1116 B12R0.44 CC(=O)CCCC(=O)COC(=O)C 1458a_100000183556_100011215641 [0,0,0,0,0,1|2,0,1]=4 1117 B12R0.44 CC(=O)CCCC(=O)CSC(=O)C 1458a_100000049016_100011215641 [0,0,0,0,0,1|2,0,1]=4 1118 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,0,1|1,0,2]=4 1119 B12R0.44 CC(=O)NCC(=O)CCCC(C)C 1458a_100000194580_100011214892 [0,0,0,0,0,1|1,0,0]=2 1120 B12R0.44 CC(=O)NCC(=O)CCCC(C)O 1458a_100000194580_200000718107 [0,0,0,0,0,1|2,0,0]=3 1121 B12R0.44 CC(=O)NCC(=O)CCCN(C)C 1458a_100000194580_100000695564 [0,0,0,0,0,1|2,0,0]=3 1122 B12R0.44 CC(=O)NCC(=O)CCOC(C)C 1458a_100000194580_100000211751 [0,0,0,0,0,1|2,0,0]=3 1123 B12R0.44 CC(=O)NCC(=O)CCSC(C)C 1458a_100000194580_100000730970 [0,0,0,0,0,1|2,0,0]=3 1124 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 11a_100000718196_100000194580 [0,0,0,0,0,1|1,0,2]=4 1125 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 1626a_100000718196_100000194580 [0,0,0,0,0,1|1,0,2]=4 1126 B12R0.44 CC(=O)NCC(=O)NCC=C(C)C 527a_100000718196_100000194580 [0,0,0,0,0,1|1,0,2]=4 1127 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000194580 [0,0,0,0,0,1|1,0,0]=2 1128 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000194580 [0,0,0,0,0,1|1,0,0]=2 1129 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000194580 [0,0,0,0,0,1|1,0,0]=2 1130 B12R0.44 CC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000194580 [0,0,0,0,0,1|1,0,0]=2 1131 B12R0.44 CC(=O)NCC(=O)NCCC(C)O 240690a_200000755665_100000194580 [0,0,0,0,0,1|2,0,0]=3 1132 B12R0.44 CC(=O)NCC(=O)NCCC(C)O 527a_200000755665_100000194580 [0,0,0,0,0,1|2,0,0]=3 1133 B12R0.44 CC(=O)NCC(=O)NCCN(C)C 240690a_100000210585_100000194580 [0,0,0,0,0,1|2,0,0]=3 1134 B12R0.44 CC(=O)NCC(=O)NCCN(C)C 527a_100000210585_100000194580 [0,0,0,0,0,1|2,0,0]=3 1135 B12R0.44 CC(=O)NCC(=O)NNCC(C)C 22a_100000696102_100000194580 [0,0,0,0,0,1|2,0,0]=3 1136 B12R0.44 CC(=O)NCC(=O)NNCC(C)O 22a_200000730056_100000194580 [0,0,0,0,0,1|3,0,0]=4 1137 B12R0.44 CC(=O)NN=C(C)CCCC(C)C 4a_100000189765_100000753411 [0,0,0,0,0,1|3,0,0]=4 1138 B12R0.44 CC(=O)NNC(=O)CCCC(C)C 22a_100000189765_100011216857 [0,0,0,0,0,1|2,0,0]=3 1139 B12R0.44 CC(=O)NNC(=O)CCCC(C)O 22a_100000189765_100000761597 [0,0,0,0,0,1|3,0,0]=4 1140 B12R0.44 CC(=O)NNC(=O)CCCN(C)C 22a_100000189765_100000740757 [0,0,0,0,0,1|3,0,0]=4 1141 B12R0.44 CC(=O)NNC(=O)CNCC(C)C 2230a_100000210953_100000181415 [0,0,0,0,0,1|3,0,0]=4 1142 B12R0.44 CC(=O)NNC(=O)COCC(C)C 22a_100000189765_100011223364 [0,0,0,0,0,1|3,0,0]=4 1143 B12R0.44 CC(=O)NNC(=O)CSCC(C)C 62a_100000181415_100000210760 [0,0,0,0,0,1|3,0,0]=4 1144 B12R0.44 CC(=O)NNC(=O)CSCC(C)C 62a_100000210624_100000181415 [0,0,0,0,0,1|3,0,0]=4 1145 B12R0.44 CC(=O)NNC(=O)NCCC(C)C 273464a_100000210545_100000189765 [0,0,0,0,0,1|2,0,0]=3 1146 B12R0.44 CC(=O)NNC(=O)NCCC(C)C 512a_100000189765_100000210545 [0,0,0,0,0,1|2,0,0]=3 1147 B12R0.44 CC(=O)NNC(=O)NCCC(C)O 273464a_200000755665_100000189765 [0,0,0,0,0,1|3,0,0]=4 1148 B12R0.44 CC(=O)NNC(=O)NCCC(C)O 512a_100000189765_200000755665 [0,0,0,0,0,1|3,0,0]=4 1149 B12R0.44 CC(=O)NNC(=O)NCCN(C)C 273464a_100000210585_100000189765 [0,0,0,0,0,1|3,0,0]=4 1150 B12R0.44 CC(=O)NNC(=O)NCCN(C)C 512a_100000189765_100000210585 [0,0,0,0,0,1|3,0,0]=4 1151 B12R0.44 CC(=O)NNC(=O)NNCC(C)C 512a_100000189765_100000696102 [0,0,0,0,0,1|3,0,0]=4 1152 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,0,1|1,0,2]=4 1153 B12R0.44 CC(=O)OCC(=O)CCCC(C)C 1458a_100000183556_100011214892 [0,0,0,0,0,1|1,0,0]=2 1154 B12R0.44 CC(=O)OCC(=O)CCCC(C)O 1458a_100000183556_200000718107 [0,0,0,0,0,1|2,0,0]=3 1155 B12R0.44 CC(=O)OCC(=O)CCCN(C)C 1458a_100000183556_100000695564 [0,0,0,0,0,1|2,0,0]=3 1156 B12R0.44 CC(=O)OCC(=O)CCOC(C)C 1458a_100000183556_100000211751 [0,0,0,0,0,1|2,0,0]=3 1157 B12R0.44 CC(=O)OCC(=O)CCSC(C)C 1458a_100000183556_100000730970 [0,0,0,0,0,1|2,0,0]=3 1158 B12R0.44 CC(=O)OCC(=O)CNCC(C)C 34a_100000210953_100000036994 [0,0,0,0,0,1|2,0,0]=3 1159 B12R0.44 CC(=O)OCC(=O)CNCC(C)O 34a_100000210904_100000036994 [0,0,0,0,0,1|3,0,0]=4 1160 B12R0.44 CC(=O)OCC(=O)COCC(C)Br 34a_100012180447_100000036994 [0,0,0,0,0,1|3,0,0]=4 1161 B12R0.44 CC(=O)OCC(=O)COCC(C)C 34a_100000210257_100000036994 [0,0,0,0,0,1|2,0,0]=3 1162 B12R0.44 CC(=O)OCC(=O)COCC(C)F 34a_100015925927_100000036994 [0,0,0,0,0,1|3,0,0]=4 1163 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036994 [0,0,0,0,0,1|3,0,0]=4 1164 B12R0.44 CC(=O)OCC(=O)COC[C@@H](C)N 34a_100000737577_100000036994 [0,0,0,0,0,1|3,0,0]=4 1165 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000036994_100000210760 [0,0,0,0,0,1|2,0,0]=3 1166 B12R0.44 CC(=O)OCC(=O)CSCC(C)C 62a_100000210624_100000036994 [0,0,0,0,0,1|2,0,0]=3 1167 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100000036994_100011218427 [0,0,0,0,0,1|3,0,0]=4 1168 B12R0.44 CC(=O)OCC(=O)CSCC(C)O 62a_100011218427_100000036994 [0,0,0,0,0,1|3,0,0]=4 1169 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100000036994_100009817552 [0,0,0,0,0,1|3,0,0]=4 1170 B12R0.44 CC(=O)OCC(=O)CSC[C@@H](C)O 62a_100009817552_100000036994 [0,0,0,0,0,1|3,0,0]=4 1171 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 1626a_100000718196_100000183556 [0,0,0,0,0,1|1,0,2]=4 1172 B12R0.44 CC(=O)OCC(=O)NCC=C(C)C 527a_100000718196_100000183556 [0,0,0,0,0,1|1,0,2]=4 1173 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 1626a_100000210545_100000183556 [0,0,0,0,0,1|1,0,0]=2 1174 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 240690a_100000210545_100000183556 [0,0,0,0,0,1|1,0,0]=2 1175 B12R0.44 CC(=O)OCC(=O)NCCC(C)C 527a_100000210545_100000183556 [0,0,0,0,0,1|1,0,0]=2 1176 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 240690a_200000755665_100000183556 [0,0,0,0,0,1|2,0,0]=3 1177 B12R0.44 CC(=O)OCC(=O)NCCC(C)O 527a_200000755665_100000183556 [0,0,0,0,0,1|2,0,0]=3 1178 B12R0.44 CC(=O)OCC(=O)NCCN(C)C 240690a_100000210585_100000183556 [0,0,0,0,0,1|2,0,0]=3 1179 B12R0.44 CC(=O)OCC(=O)NCCN(C)C 527a_100000210585_100000183556 [0,0,0,0,0,1|2,0,0]=3 1180 B12R0.44 CC(=O)OCC(=O)NNCC(C)C 22a_100000696102_100000183556 [0,0,0,0,0,1|2,0,0]=3 1181 B12R0.44 CC(=O)OCC(=O)NNCC(C)O 22a_200000730056_100000183556 [0,0,0,0,0,1|3,0,0]=4 1182 B12R0.44 CC(=O)OCC(C)NCCC(C)C 270004a_100000210545_100000000629 [0,0,0,0,0,1|2,0,1]=4 1183 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,0,1|1,0,2]=4 1184 B12R0.44 CC(=O)SCC(=O)CCCC(C)C 1458a_100000049016_100011214892 [0,0,0,0,0,1|1,0,0]=2 1185 B12R0.44 CC(=O)SCC(=O)CCCC(C)O 1458a_100000049016_200000718107 [0,0,0,0,0,1|2,0,0]=3 1186 B12R0.44 CC(=O)SCC(=O)CCCN(C)C 1458a_100000049016_100000695564 [0,0,0,0,0,1|2,0,0]=3 1187 B12R0.44 CC(=O)SCC(=O)CCOC(C)C 1458a_100000049016_100000211751 [0,0,0,0,0,1|2,0,0]=3 1188 B12R0.44 CC(=O)SCC(=O)CCSC(C)C 1458a_100000049016_100000730970 [0,0,0,0,0,1|2,0,0]=3 1189 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 11a_100000718196_100000049016 [0,0,0,0,0,1|1,0,2]=4 1190 B12R0.44 CC(=O)SCC(=O)NCC=C(C)C 1626a_100000718196_100000049016 [0,0,0,0,0,1|1,0,2]=4 1191 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 11a_100000210545_100000049016 [0,0,0,0,0,1|1,0,0]=2 1192 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 1626a_100000210545_100000049016 [0,0,0,0,0,1|1,0,0]=2 1193 B12R0.44 CC(=O)SCC(=O)NCCC(C)C 240690a_100000210545_100000049016 [0,0,0,0,0,1|1,0,0]=2 1194 B12R0.44 CC(=O)SCC(=O)NCCC(C)O 240690a_200000755665_100000049016 [0,0,0,0,0,1|2,0,0]=3 1195 B12R0.44 CC(=O)SCC(=O)NCCN(C)C 240690a_100000210585_100000049016 [0,0,0,0,0,1|2,0,0]=3 1196 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,0,0,0,0,1|2,0,0]=3 1197 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100000181311_100011214892 [0,0,0,0,0,1|2,0,1]=4 1198 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100011216857_100000210312 [0,0,0,0,0,1|2,0,1]=4 1199 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,0,0,0,0,1|1,0,2]=4 1200 B12R0.44 CC(C)CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011214892 [0,0,0,0,0,1|3,0,0]=4 1201 B12R0.44 CC(C)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011214892 [0,0,0,0,0,1|3,0,0]=4 1202 B12R0.44 CC(C)CCCC(=O)CNC(=O)N 1458a_100000184981_100011214892 [0,0,0,0,0,1|2,0,0]=3 1203 B12R0.44 CC(C)CCCC(=O)COC(C)C 1458a_100000745533_100011214892 [0,0,0,0,0,1|2,0,1]=4 1204 B12R0.44 CC(C)CCCC(=O)CSC(C)C 1458a_100000241585_100011214892 [0,0,0,0,0,1|2,0,1]=4 1205 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 11a_100000711301_100011216857 [0,0,0,0,0,1|2,0,0]=3 1206 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100011216857 [0,0,0,0,0,1|2,0,0]=3 1207 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 527a_100000711301_100011216857 [0,0,0,0,0,1|2,0,0]=3 1208 B12R0.44 CC(C)CCCC(=O)NCC(C)C 11a_100000210953_100011216857 [0,0,0,0,0,1|2,0,1]=4 1209 B12R0.44 CC(C)CCCC(=O)NCC(C)C 1626a_100000210953_100011216857 [0,0,0,0,0,1|2,0,1]=4 1210 B12R0.44 CC(C)CCCC(=O)NCC(C)C 240690a_100000210953_100011216857 [0,0,0,0,0,1|2,0,1]=4 1211 B12R0.44 CC(C)CCCC(=O)NCC(C)C 527a_100000210953_100011216857 [0,0,0,0,0,1|2,0,1]=4 1212 B12R0.44 CC(C)CCCC(=O)NCC(C)O 11a_100000210904_100011216857 [0,0,0,0,0,1|1,0,2]=4 1213 B12R0.44 CC(C)CCCC(=O)NCC(C)O 240690a_100000210904_100011216857 [0,0,0,0,0,1|1,0,2]=4 1214 B12R0.44 CC(C)CCCC(=O)NCC(C)O 527a_100000210904_100011216857 [0,0,0,0,0,1|1,0,2]=4 1215 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 240690a_100000210545_100011215257 [0,0,0,0,0,1|2,0,0]=3 1216 B12R0.44 CC(C)CCNC(=O)CCC(=O)N 527a_100000210545_100011215257 [0,0,0,0,0,1|2,0,0]=3 1217 B12R0.44 CC(C)CCNC(=O)CCC(C)C 11a_100000210545_100000181311 [0,0,0,0,0,1|2,0,1]=4 1218 B12R0.44 CC(C)CCNC(=O)CCC(C)C 1626a_100000210545_100000181311 [0,0,0,0,0,1|2,0,1]=4 1219 B12R0.44 CC(C)CCNC(=O)CCC(C)C 240690a_100000210545_100000181311 [0,0,0,0,0,1|2,0,1]=4 1220 B12R0.44 CC(C)CCNC(=O)CCC(C)C 527a_100000210545_100000181311 [0,0,0,0,0,1|2,0,1]=4 1221 B12R0.44 CC(C)CCNC(=O)CCC(C)O 1626a_100000210545_100000718519 [0,0,0,0,0,1|1,0,2]=4 1222 B12R0.44 CC(C)CCNC(=O)CCN(C)C 11a_100000210545_100000689311 [0,0,0,0,0,1|3,0,0]=4 1223 B12R0.44 CC(C)CCNC(=O)CCN(C)C 240690a_100000210545_100000689311 [0,0,0,0,0,1|3,0,0]=4 1224 B12R0.44 CC(C)CCNC(=O)CCN(C)C 527a_100000210545_100000689311 [0,0,0,0,0,1|3,0,0]=4 1225 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 11a_100000210545_200000064761 [0,0,0,0,0,1|3,0,0]=4 1226 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 1626a_100000210545_200000064761 [0,0,0,0,0,1|3,0,0]=4 1227 B12R0.44 CC(C)CCNC(=O)CC[N+](=O)[O-] 240690a_100000210545_200000064761 [0,0,0,0,0,1|3,0,0]=4 1228 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 11a_100000210545_100009452791 [0,0,0,0,0,1|3,0,0]=4 1229 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 1626a_100000210545_100009452791 [0,0,0,0,0,1|3,0,0]=4 1230 B12R0.44 CC(C)CCNC(=O)CC[S+](C)C 240690a_100000210545_100009452791 [0,0,0,0,0,1|3,0,0]=4 1231 B12R0.44 CC(C)CCNC(=O)CNC(=O)N 240690a_100000210545_100000184981 [0,0,0,0,0,1|2,0,0]=3 1232 B12R0.44 CC(C)CCNC(=O)CNC(=O)N 527a_100000210545_100000184981 [0,0,0,0,0,1|2,0,0]=3 1233 B12R0.44 CC(C)CCNC(=O)COC(C)C 11a_100000210545_100000745533 [0,0,0,0,0,1|2,0,1]=4 1234 B12R0.44 CC(C)CCNC(=O)COC(C)C 1626a_100000210545_100000745533 [0,0,0,0,0,1|2,0,1]=4 1235 B12R0.44 CC(C)CCNC(=O)COC(C)C 240690a_100000210545_100000745533 [0,0,0,0,0,1|2,0,1]=4 1236 B12R0.44 CC(C)CCNC(=O)COC(C)C 527a_100000210545_100000745533 [0,0,0,0,0,1|2,0,1]=4 1237 B12R0.44 CC(C)CCNC(=O)CSC(=O)N 240690a_100000210545_200015941356 [0,0,0,0,0,1|2,0,0]=3 1238 B12R0.44 CC(C)CCNC(=O)CSC(C)C 11a_100000210545_100000241585 [0,0,0,0,0,1|2,0,1]=4 1239 B12R0.44 CC(C)CCNC(=O)CSC(C)C 1626a_100000210545_100000241585 [0,0,0,0,0,1|2,0,1]=4 1240 B12R0.44 CC(C)CCNC(=O)CSC(C)C 240690a_100000210545_100000241585 [0,0,0,0,0,1|2,0,1]=4 1241 B12R0.44 CC(C)CCNC(=O)CSC(C)C 527a_100000210545_100000241585 [0,0,0,0,0,1|2,0,1]=4 1242 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 2708a_100000210545_100000711301 [0,0,0,0,0,1|2,0,0]=3 1243 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 273464a_100000210545_100000711301 [0,0,0,0,0,1|2,0,0]=3 1244 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 273464a_100000711301_100000210545 [0,0,0,0,0,1|2,0,0]=3 1245 B12R0.44 CC(C)CCNC(=O)NCC(=O)N 512a_100000210545_100000711301 [0,0,0,0,0,1|2,0,0]=3 1246 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210545_100000210953 [0,0,0,0,0,1|2,0,1]=4 1247 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210953_100000210545 [0,0,0,0,0,1|2,0,1]=4 1248 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210545_100000210953 [0,0,0,0,0,1|2,0,1]=4 1249 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210953_100000210545 [0,0,0,0,0,1|2,0,1]=4 1250 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210545_100000210953 [0,0,0,0,0,1|2,0,1]=4 1251 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210953_100000210545 [0,0,0,0,0,1|2,0,1]=4 1252 B12R0.44 CC(C)CCNC(=O)NCC(C)O 2708a_100000210545_100000210904 [0,0,0,0,0,1|1,0,2]=4 1253 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210545_100000210904 [0,0,0,0,0,1|1,0,2]=4 1254 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210904_100000210545 [0,0,0,0,0,1|1,0,2]=4 1255 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210545_100000210904 [0,0,0,0,0,1|1,0,2]=4 1256 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210904_100000210545 [0,0,0,0,0,1|1,0,2]=4 1257 B12R0.44 CC(C)CNCC(=O)NCC(=O)O 269956a_100000183575_100000210760 [0,0,0,0,0,1|3,0,0]=4 1258 B12R0.44 CC(C)CNNC(=O)CCC(=O)N 22a_100000696102_100011215257 [0,0,0,0,0,1|3,0,0]=4 1259 B12R0.44 CC(C)CNNC(=O)CNC(=O)N 22a_100000696102_100000184981 [0,0,0,0,0,1|3,0,0]=4 1260 B12R0.44 CC(C)CNNC(=O)NCC(=O)N 273464a_100000711301_100000696102 [0,0,0,0,0,1|3,0,0]=4 1261 B12R0.44 CC(C)CNNC(=O)NCC(=O)N 512a_100000696102_100000711301 [0,0,0,0,0,1|3,0,0]=4 1262 B12R0.44 CC(C)COCC(=O)NCC(=O)N 11a_100000711301_100011223364 [0,0,0,0,0,1|3,0,0]=4 1263 B12R0.44 CC(C)COCC(=O)NCC(=O)N 240690a_100000711301_100011223364 [0,0,0,0,0,1|3,0,0]=4 1264 B12R0.44 CC(C)COCC(=O)NCC(=O)N 527a_100000711301_100011223364 [0,0,0,0,0,1|3,0,0]=4 1265 B12R0.44 CC(C)NCCC(=O)NCC(=O)O 269956a_100000722369_100000210206 [0,0,0,0,0,1|3,0,0]=4 1266 B12R0.44 CC(C)OCCC(=O)CCC(=O)N 1458a_100011215257_100000211751 [0,0,0,0,0,1|3,0,0]=4 1267 B12R0.44 CC(C)OCCC(=O)CNC(=O)N 1458a_100000184981_100000211751 [0,0,0,0,0,1|3,0,0]=4 1268 B12R0.44 CC(C)SCCC(=O)CCC(=O)N 1458a_100011215257_100000730970 [0,0,0,0,0,1|3,0,0]=4 1269 B12R0.44 CC(C)SCCC(=O)CNC(=O)N 1458a_100000184981_100000730970 [0,0,0,0,0,1|3,0,0]=4 1270 B12R0.44 CC(O)CCCC(=O)CCC(=O)N 1458a_100011215257_200000718107 [0,0,0,0,0,1|3,0,0]=4 1271 B12R0.44 CC(O)CCCC(=O)CNC(=O)N 1458a_100000184981_200000718107 [0,0,0,0,0,1|3,0,0]=4 1272 B12R0.44 CC(O)CCCC(=O)NCC(=O)N 527a_100000711301_100000761597 [0,0,0,0,0,1|3,0,0]=4 1273 B12R0.44 CC(O)CCNC(=O)CCC(=O)N 240690a_200000755665_100011215257 [0,0,0,0,0,1|3,0,0]=4 1274 B12R0.44 CC(O)CCNC(=O)CCC(=O)N 527a_200000755665_100011215257 [0,0,0,0,0,1|3,0,0]=4 1275 B12R0.44 CC(O)CCNC(=O)CNC(=O)N 240690a_200000755665_100000184981 [0,0,0,0,0,1|3,0,0]=4 1276 B12R0.44 CC(O)CCNC(=O)CNC(=O)N 527a_200000755665_100000184981 [0,0,0,0,0,1|3,0,0]=4 1277 B12R0.44 CC(O)CCNC(=O)CSC(=O)N 240690a_200000755665_200015941356 [0,0,0,0,0,1|3,0,0]=4 1278 B12R0.44 CC(O)CCNC(=O)NCC(=O)N 273464a_200000755665_100000711301 [0,0,0,0,0,1|3,0,0]=4 1279 B12R0.44 CC(O)CCNC(=O)NCC(=O)N 512a_200000755665_100000711301 [0,0,0,0,0,1|3,0,0]=4 1280 B12R0.44 CN(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100000695564 [0,0,0,0,0,1|3,0,0]=4 1281 B12R0.44 CN(C)CCCC(=O)CNC(=O)N 1458a_100000184981_100000695564 [0,0,0,0,0,1|3,0,0]=4 1282 B12R0.44 CN(C)CCCC(=O)NCC(=O)N 11a_100000711301_100000740757 [0,0,0,0,0,1|3,0,0]=4 1283 B12R0.44 CN(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100000740757 [0,0,0,0,0,1|3,0,0]=4 1284 B12R0.44 CN(C)CCNC(=O)CCC(=O)N 240690a_100000210585_100011215257 [0,0,0,0,0,1|3,0,0]=4 1285 B12R0.44 CN(C)CCNC(=O)CCC(=O)N 527a_100000210585_100011215257 [0,0,0,0,0,1|3,0,0]=4 1286 B12R0.44 CN(C)CCNC(=O)CNC(=O)N 240690a_100000210585_100000184981 [0,0,0,0,0,1|3,0,0]=4 1287 B12R0.44 CN(C)CCNC(=O)CNC(=O)N 527a_100000210585_100000184981 [0,0,0,0,0,1|3,0,0]=4 1288 B12R0.44 CN(C)CCNC(=O)CSC(=O)N 240690a_100000210585_200015941356 [0,0,0,0,0,1|3,0,0]=4 1289 B12R0.44 CN(C)CCNC(=O)NCC(=O)N 273464a_100000210585_100000711301 [0,0,0,0,0,1|3,0,0]=4 1290 B12R0.44 CN(C)CCNC(=O)NCC(=O)N 273464a_100000711301_100000210585 [0,0,0,0,0,1|3,0,0]=4 1291 B12R0.270 C=C(C)CC(=O)CCCCC(C)C 1458a_100011933920_100000748629 [0,0,0,0,0,1|2,0,0]=3 1292 B12R0.270 C=C(F)CC(=O)CCCCC(C)C 1458a_100011933920_100009893438 [0,0,0,0,0,1|2,0,1]=4 1293 B12R0.270 CC(=CC(=O)CCCCC(C)C)C 1458a_100000211388_100011216152 [0,0,0,0,0,1|2,0,1]=4 1294 B12R0.270 CC(=CC(=O)CCCCC(C)C)Cl 1458a_200042562850_100011216152 [0,0,0,0,0,1|2,0,1]=4 1295 B12R0.270 CC(=CC(=O)CCCCC(C)C)I 1458a_100025716642_100011216152 [0,0,0,0,0,1|2,0,1]=4 1296 B12R0.270 CC(=CC(=O)NCCCC(C)C)C 11a_200000737386_100000211388 [0,0,0,0,0,1|2,0,1]=4 1297 B12R0.270 CC(=CC(=O)NCCCC(C)C)C 1626a_200000737386_100000211388 [0,0,0,0,0,1|2,0,1]=4 1298 B12R0.270 CC(=CC(=O)NCCCC(C)C)C 240690a_200000737386_100000211388 [0,0,0,0,0,1|2,0,1]=4 1299 B12R0.270 CC(=CC(=O)NCCCC(C)C)Cl 11a_200000737386_200042562850 [0,0,0,0,0,1|2,0,1]=4 1300 B12R0.270 CC(=CC(=O)NCCCC(C)C)Cl 1626a_200000737386_200042562850 [0,0,0,0,0,1|2,0,1]=4 1301 B12R0.270 CC(=CC(=O)NCCCC(C)C)Cl 240690a_200000737386_200042562850 [0,0,0,0,0,1|2,0,1]=4 1302 B12R0.270 CC(=CC(=O)NCCCC(C)C)I 11a_200000737386_100025716642 [0,0,0,0,0,1|2,0,1]=4 1303 B12R0.270 CC(=CC(=O)NCCCC(C)C)I 1626a_200000737386_100025716642 [0,0,0,0,0,1|2,0,1]=4 1304 B12R0.270 CC(=CC(=O)NCCOC(C)C)C 11a_100000701111_100000211388 [0,0,0,0,0,1|2,0,1]=4 1305 B12R0.270 CC(=CC(=O)NCCOC(C)C)C 1626a_100000701111_100000211388 [0,0,0,0,0,1|2,0,1]=4 1306 B12R0.270 CC(=CC(=O)NCCOC(C)C)C 240690a_100000701111_100000211388 [0,0,0,0,0,1|2,0,1]=4 1307 B12R0.270 CC(=CC(=O)NCCOC(C)C)Cl 11a_100000701111_200042562850 [0,0,0,0,0,1|2,0,1]=4 1308 B12R0.270 CC(=CC(=O)NCCOC(C)C)Cl 1626a_100000701111_200042562850 [0,0,0,0,0,1|2,0,1]=4 1309 B12R0.270 CC(=CC(=O)NCCOC(C)C)Cl 240690a_100000701111_200042562850 [0,0,0,0,0,1|2,0,1]=4 1310 B12R0.270 CC(=CC(=O)NCCOC(C)C)I 11a_100000701111_100025716642 [0,0,0,0,0,1|2,0,1]=4 1311 B12R0.270 CC(=CC(=O)NCCOC(C)C)I 1626a_100000701111_100025716642 [0,0,0,0,0,1|2,0,1]=4 1312 B12R0.270 CC(=CC(=O)NCCSC(C)C)C 11a_100000731138_100000211388 [0,0,0,0,0,1|2,0,1]=4 1313 B12R0.270 CC(=CC(=O)NCCSC(C)C)C 1626a_100000731138_100000211388 [0,0,0,0,0,1|2,0,1]=4 1314 B12R0.270 CC(=CC(=O)NCCSC(C)C)C 240690a_100000731138_100000211388 [0,0,0,0,0,1|2,0,1]=4 1315 B12R0.270 CC(=CC(=O)NCCSC(C)C)Cl 11a_100000731138_200042562850 [0,0,0,0,0,1|2,0,1]=4 1316 B12R0.270 CC(=CC(=O)NCCSC(C)C)Cl 1626a_100000731138_200042562850 [0,0,0,0,0,1|2,0,1]=4 1317 B12R0.270 CC(=CC(=O)NCCSC(C)C)Cl 240690a_100000731138_200042562850 [0,0,0,0,0,1|2,0,1]=4 1318 B12R0.270 CC(=CC(=O)NCCSC(C)C)I 11a_100000731138_100025716642 [0,0,0,0,0,1|2,0,1]=4 1319 B12R0.270 CC(=CC(=O)NCCSC(C)C)I 1626a_100000731138_100025716642 [0,0,0,0,0,1|2,0,1]=4 1320 B12R0.270 CC(=O)CC(=O)OCCNC(C)C 34a_100138425928_100000102702 [0,0,0,0,0,1|0,0,0]=1 1321 B12R0.270 CC(=O)CC(=O)OCCOC(C)C 34a_100000212225_100000102702 [0,0,0,0,0,1|0,0,0]=1 1322 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000102702_100000210206 [0,0,0,0,0,1|0,0,0]=1 1323 B12R0.270 CC(=O)CC(=O)OCCSC(C)C 62a_100000210206_100000102702 [0,0,0,0,0,1|0,0,0]=1 1324 B12R0.270 CC(=O)CCOCC(=O)NC(=O)C 7a_100000759926_100000183797 [0,0,0,0,0,1|2,0,1]=4 1325 B12R0.270 CC(=O)NC(=O)COCCC(C)C 7a_100000210254_100000183797 [0,0,0,0,0,1|1,0,0]=2 1326 B12R0.270 CC(=O)NC(=O)CSCCC(C)C 62a_100000210312_100000183797 [0,0,0,0,0,1|1,1,0]=3 1327 B12R0.270 CC(=O)NC(=O)CSCCC(C)O 62a_100012276601_100000183797 [0,0,0,0,0,1|2,1,0]=4 1328 B12R0.270 CC(=O)NC(=O)CSCOC(C)C 62a_100000709892_100000183797 [0,0,0,0,0,1|2,1,0]=4 1329 B12R0.270 CC(C)CC(=O)NCCOC(C)C 11a_100000701111_100000210554 [0,0,0,0,0,1|2,0,1]=4 1330 B12R0.270 CC(C)CC(=O)NCCOC(C)C 1626a_100000701111_100000210554 [0,0,0,0,0,1|2,0,1]=4 1331 B12R0.270 CC(C)CC(=O)NCCOC(C)C 240690a_100000701111_100000210554 [0,0,0,0,0,1|2,0,1]=4 1332 B12R0.270 CC(C)CC(=O)NCCOC(C)C 527a_100000701111_100000210554 [0,0,0,0,0,1|2,0,1]=4 1333 B12R0.270 CC(C)CC(=O)NCCSC(C)C 11a_100000731138_100000210554 [0,0,0,0,0,1|2,0,1]=4 1334 B12R0.270 CC(C)CC(=O)NCCSC(C)C 1626a_100000731138_100000210554 [0,0,0,0,0,1|2,0,1]=4 1335 B12R0.270 CC(C)CC(=O)NCCSC(C)C 240690a_100000731138_100000210554 [0,0,0,0,0,1|2,0,1]=4 1336 B12R0.270 CC(C)CC(=O)NCCSC(C)C 527a_100000731138_100000210554 [0,0,0,0,0,1|2,0,1]=4 1337 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100011933920_100000187820 [0,0,0,0,0,1|2,0,0]=3 1338 B12R0.270 CC(C)CCCCC(=O)CC(=O)N 1458a_100134613110_100011216152 [0,0,0,0,0,1|2,0,0]=3 1339 B12R0.270 CC(C)CCCCC(=O)CC(=O)[O-] 1458a_100011933920_100020667443 [0,0,0,0,0,1|2,0,0]=3 1340 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100000210554_100011216152 [0,0,0,0,0,1|2,0,1]=4 1341 B12R0.270 CC(C)CCCCC(=O)CC(C)C 1458a_100011933920_100000210624 [0,0,0,0,0,1|2,0,1]=4 1342 B12R0.270 CC(C)CCCCC(=O)CC(C)O 1458a_100011933920_100011218427 [0,0,0,0,0,1|1,0,2]=4 1343 B12R0.270 CC(C)CCCCC(=O)CN(C)C 1458a_100000750896_100011216152 [0,0,0,0,0,1|3,0,0]=4 1344 B12R0.270 CC(C)CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011216152 [0,0,0,0,0,1|1,0,2]=4 1345 B12R0.270 CC(C)CCCCC(=O)C[N+](=O)[O-] 1458a_100011933920_100000761209 [0,0,0,0,0,1|3,0,0]=4 1346 B12R0.270 CC(C)CCCCC(=O)C[S+](C)C 1458a_200159257847_100011216152 [0,0,0,0,0,1|3,0,0]=4 1347 B12R0.270 CC(C)CCCNC(=O)CC(=O)N 240690a_200000737386_100134613110 [0,0,0,0,0,1|2,0,0]=3 1348 B12R0.270 CC(C)CCCNC(=O)CC(=O)N 527a_200000737386_100134613110 [0,0,0,0,0,1|2,0,0]=3 1349 B12R0.270 CC(C)CCCNC(=O)CC(C)C 11a_200000737386_100000210554 [0,0,0,0,0,1|2,0,1]=4 1350 B12R0.270 CC(C)CCCNC(=O)CC(C)C 1626a_200000737386_100000210554 [0,0,0,0,0,1|2,0,1]=4 1351 B12R0.270 CC(C)CCCNC(=O)CC(C)C 240690a_200000737386_100000210554 [0,0,0,0,0,1|2,0,1]=4 1352 B12R0.270 CC(C)CCCNC(=O)CC(C)C 527a_200000737386_100000210554 [0,0,0,0,0,1|2,0,1]=4 1353 B12R0.270 CC(C)CCCNC(=O)CN(C)C 11a_200000737386_100000750896 [0,0,0,0,0,1|3,0,0]=4 1354 B12R0.270 CC(C)CCCNC(=O)CN(C)C 240690a_200000737386_100000750896 [0,0,0,0,0,1|3,0,0]=4 1355 B12R0.270 CC(C)CCCNC(=O)CN(C)C 527a_200000737386_100000750896 [0,0,0,0,0,1|3,0,0]=4 1356 B12R0.270 CC(C)CCCNC(=O)C[C@@H](C)O 240690a_200000737386_100011933948 [0,0,0,0,0,1|1,0,2]=4 1357 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 11a_200000737386_200159257847 [0,0,0,0,0,1|3,0,0]=4 1358 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 1626a_200000737386_200159257847 [0,0,0,0,0,1|3,0,0]=4 1359 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 240690a_200000737386_200159257847 [0,0,0,0,0,1|3,0,0]=4 1360 B12R0.270 CC(C)CCCNC(=O)C[S+](C)C 527a_200000737386_200159257847 [0,0,0,0,0,1|3,0,0]=4 1361 B12R0.270 CC(C)CCOCC(=O)NC(=O)N 7a_100000210254_100000182717 [0,0,0,0,0,1|2,0,0]=3 1362 B12R0.270 CC(C)CCOCC(=O)NC(C)C 34a_100000210254_100000183996 [0,0,0,0,0,1|2,0,1]=4 1363 B12R0.270 CC(C)CCOCC(=O)NC(C)C 7a_100000210254_100000183996 [0,0,0,0,0,1|2,0,1]=4 1364 B12R0.270 CC(C)CCOCC(=O)OC(C)C 34a_100000210254_100011215430 [0,0,0,0,0,1|2,0,1]=4 1365 B12R0.270 CC(C)CCOCC(=O)OC(C)C 7a_100000210254_100011215430 [0,0,0,0,0,1|2,0,1]=4 1366 B12R0.270 CC(C)CCSCC(=O)NC(=O)N 62a_100000210312_100000182717 [0,0,0,0,0,1|2,1,0]=4 1367 B12R0.270 CC(C)CNCCC(=O)NC(=O)N 2230a_100000210953_100000237605 [0,0,0,0,0,1|3,0,0]=4 1368 B12R0.270 CC(C)CSCCC(=O)NC(=O)N 62a_100000210624_100000237605 [0,0,0,0,0,1|3,0,0]=4 1369 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000003507_100000210760 [0,0,0,0,0,1|2,0,1]=4 1370 B12R0.270 CC(C)CSCOC(=O)OC(C)C 62a_100000210624_100000003507 [0,0,0,0,0,1|2,0,1]=4 1371 B12R0.270 CC(C)OCCNC(=O)CC(=O)N 240690a_100000701111_100134613110 [0,0,0,0,0,1|2,0,0]=3 1372 B12R0.270 CC(C)OCCNC(=O)CC(=O)N 527a_100000701111_100134613110 [0,0,0,0,0,1|2,0,0]=3 1373 B12R0.270 CC(C)OCCNC(=O)CN(C)C 11a_100000701111_100000750896 [0,0,0,0,0,1|3,0,0]=4 1374 B12R0.270 CC(C)OCCNC(=O)CN(C)C 240690a_100000701111_100000750896 [0,0,0,0,0,1|3,0,0]=4 1375 B12R0.270 CC(C)OCCNC(=O)CN(C)C 527a_100000701111_100000750896 [0,0,0,0,0,1|3,0,0]=4 1376 B12R0.270 CC(C)OCCNC(=O)C[C@@H](C)O 240690a_100000701111_100011933948 [0,0,0,0,0,1|1,0,2]=4 1377 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 11a_100000701111_200159257847 [0,0,0,0,0,1|3,0,0]=4 1378 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 1626a_100000701111_200159257847 [0,0,0,0,0,1|3,0,0]=4 1379 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 240690a_100000701111_200159257847 [0,0,0,0,0,1|3,0,0]=4 1380 B12R0.270 CC(C)OCCNC(=O)C[S+](C)C 527a_100000701111_200159257847 [0,0,0,0,0,1|3,0,0]=4 1381 B12R0.270 CC(C)SCCNC(=O)CC(=O)N 240690a_100000731138_100134613110 [0,0,0,0,0,1|2,0,0]=3 1382 B12R0.270 CC(C)SCCNC(=O)CC(=O)N 527a_100000731138_100134613110 [0,0,0,0,0,1|2,0,0]=3 1383 B12R0.270 CC(C)SCCNC(=O)CN(C)C 11a_100000731138_100000750896 [0,0,0,0,0,1|3,0,0]=4 1384 B12R0.270 CC(C)SCCNC(=O)CN(C)C 240690a_100000731138_100000750896 [0,0,0,0,0,1|3,0,0]=4 1385 B12R0.270 CC(C)SCCNC(=O)CN(C)C 527a_100000731138_100000750896 [0,0,0,0,0,1|3,0,0]=4 1386 B12R0.270 CC(C)SCCNC(=O)C[C@@H](C)O 240690a_100000731138_100011933948 [0,0,0,0,0,1|1,0,2]=4 1387 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 11a_100000731138_200159257847 [0,0,0,0,0,1|3,0,0]=4 1388 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 1626a_100000731138_200159257847 [0,0,0,0,0,1|3,0,0]=4 1389 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 240690a_100000731138_200159257847 [0,0,0,0,0,1|3,0,0]=4 1390 B12R0.270 CC(C)SCCNC(=O)C[S+](C)C 527a_100000731138_200159257847 [0,0,0,0,0,1|3,0,0]=4 1391 B12R0.270 CC(C)SCCOC(=O)NC(=O)N 62a_100000210206_100000054987 [0,0,0,0,0,1|2,0,0]=3 1392 B12R0.270 CN(C)CCCNC(=O)CC(=O)N 240690a_102531767803_100134613110 [0,0,0,0,0,1|3,0,0]=4 1393 B12R0.270 CN(C)CCCNC(=O)CC(=O)N 527a_102531767803_100134613110 [0,0,0,0,0,1|3,0,0]=4 1394 B12R0.270 CN(C)CCCOC(=O)NC(=O)N 2230a_100102631434_100000057794 [0,0,0,0,0,1|3,0,0]=4 1395 B12R0.270 CN(C)CCCOC(=O)NC(=O)N 269982a_100102631434_100000057794 [0,0,0,0,0,1|3,0,0]=4 1396 B12R0.270 CN(C)CCNNC(=O)CC(=O)N 22a_100000738145_100134613110 [0,0,0,0,0,1|3,0,0]=4 1397 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [2,0,0,0,0,0|1,0,1]=4 1398 B9R0.1 C=CC(=O)NCCC(C)C 1626a_100000210545_100000185746 [2,0,0,0,0,0|1,0,1]=4 1399 B9R0.1 C=CC(=O)NCCC(C)C 240690a_100000210545_200121576911 [2,0,0,0,0,0|1,0,1]=4 1400 B9R0.1 C=CC(=O)OCCN(C)C 2230a_100102631434_100009813456 [2,0,0,0,0,0|1,0,1]=4 1401 B9R0.1 C=CC(=O)OCCN(C)C 269982a_100102631434_100009813456 [2,0,0,0,0,0|1,0,1]=4 1402 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [2,0,0,0,0,0|2,0,0]=4 1403 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [2,0,0,0,0,0|1,0,1]=4 1404 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [2,0,0,0,0,0|1,0,1]=4 1405 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [2,0,0,0,0,0|1,0,1]=4 1406 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [2,0,0,0,0,0|1,0,0]=3 1407 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [2,0,0,0,0,0|1,0,0]=3 1408 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [2,0,0,0,0,0|2,0,0]=4 1409 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [2,0,0,0,0,0|2,0,0]=4 1410 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [2,0,0,0,0,0|2,0,0]=4 1411 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [2,0,0,0,0,0|2,0,0]=4 1412 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [2,0,0,0,0,0|2,0,0]=4 1413 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [2,0,0,0,0,0|2,0,0]=4 1414 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [2,0,0,0,0,0|2,0,0]=4 1415 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [2,0,0,0,0,0|2,0,0]=4 1416 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [2,0,0,0,0,0|1,0,0]=3 1417 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [2,0,0,0,0,0|1,0,0]=3 1418 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [2,0,0,0,0,0|1,0,0]=3 1419 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [2,0,0,0,0,0|1,0,0]=3 1420 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [2,0,0,0,0,0|2,0,0]=4 1421 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [2,0,0,0,0,0|2,0,0]=4 1422 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [2,0,0,0,0,0|2,0,0]=4 1423 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [2,0,0,0,0,0|2,0,0]=4 1424 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [2,0,0,0,0,0|2,0,0]=4 1425 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [2,0,0,0,0,0|1,0,1]=4 1426 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [2,0,0,0,0,0|1,0,1]=4 1427 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [2,0,0,0,0,0|1,0,1]=4 1428 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [2,0,0,0,0,0|2,0,0]=4 1429 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [2,0,0,0,0,0|2,0,0]=4 1430 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [2,0,0,0,0,0|2,0,0]=4 1431 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [2,0,0,0,0,0|2,0,0]=4 1432 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [2,0,0,0,0,0|2,0,0]=4 1433 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [2,0,0,0,0,0|2,0,0]=4 1434 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [2,0,0,0,0,0|2,0,0]=4 1435 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [2,0,0,0,0,0|2,0,0]=4 1436 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [2,0,0,0,0,0|2,0,0]=4 1437 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [2,0,0,0,0,0|2,0,0]=4 1438 B9R0.1 CNC(=O)OCCN(C)C 269982a_100102631434_200011997002 [2,0,0,0,0,0|2,0,0]=4 1439 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [2,0,0,0,0,0|2,0,0]=4 1440 B9R0.2 C/C=C/COCCC(C)C 34a_100000210254_100102629194 [2,0,0,0,0,0|0,0,2]=4 1441 B9R0.2 C/C=C/COCCC(C)C 34a_100016270725_100000210312 [2,0,0,0,0,0|0,0,2]=4 1442 B9R0.2 C/C=C/COCCC(C)C 7a_100000210254_100102629194 [2,0,0,0,0,0|0,0,2]=4 1443 B9R0.2 C=C(C)CCOCCCC 34a_100000210227_100000730704 [2,0,0,0,0,0|1,0,1]=4 1444 B9R0.2 C=C(C)CCOCCCC 34a_100000764851_100000210210 [2,0,0,0,0,0|1,0,1]=4 1445 B9R0.2 C=C(C)CCOCCCC 7a_100000210227_100000730704 [2,0,0,0,0,0|1,0,1]=4 1446 B9R0.2 C=CCCOCCC(C)C 34a_100000210254_100000754431 [2,0,0,0,0,0|0,0,2]=4 1447 B9R0.2 C=CCCOCCC(C)C 34a_100011205117_100000210312 [2,0,0,0,0,0|0,0,2]=4 1448 B9R0.2 C=CCCOCCC(C)C 7a_100000210254_100000754431 [2,0,0,0,0,0|0,0,2]=4 1449 B9R0.2 CC(=O)CCOCCCF 34a_100000759926_100011934791 [2,0,0,0,0,0|1,0,1]=4 1450 B9R0.2 CC(=O)CCOCCCF 7a_100000759926_100011934791 [2,0,0,0,0,0|1,0,1]=4 1451 B9R0.2 CC(=O)CCOCCCO 34a_100000759926_100000230001 [2,0,0,0,0,0|1,0,1]=4 1452 B9R0.2 CC(=O)CCOCCCO 7a_100000759926_100011215043 [2,0,0,0,0,0|1,0,1]=4 1453 B9R0.2 CC(C)CCCNCC=O 2230a_200000737386_200015260668 [2,0,0,0,0,0|2,0,0]=4 1454 B9R0.2 CC(C)CCCNCC=O 34a_200000737386_200009817547 [2,0,0,0,0,0|2,0,0]=4 1455 B9R0.2 CC(C)CCCOCC=O 34a_100000210774_200009817547 [2,0,0,0,0,0|2,0,0]=4 1456 B9R0.2 CC(C)CCCOCC=O 7a_100000210774_200015260668 [2,0,0,0,0,0|2,0,0]=4 1457 B9R0.2 CC(C)CCCSCC=O 62a_100011214892_200015260668 [2,0,0,0,0,0|2,0,0]=4 1458 B9R0.2 CC(C)CCCSCC=O 62a_200015260668_100011214892 [2,0,0,0,0,0|2,0,0]=4 1459 B9R0.2 CC=CCOCCC(C)C 34a_100000210254_100000070051 [2,0,0,0,0,0|0,0,2]=4 1460 B9R0.2 CC=CCOCCC(C)C 7a_100000210254_100000070051 [2,0,0,0,0,0|0,0,2]=4 1461 B9R0.2 CCCC/C=C/CC(=O)C 1458a_200016282684_200000210301 [2,0,0,0,0,0|1,0,0]=3 1462 B9R0.2 CCCC/C=C/CC(=O)[13CH3] 1458a_200016282684_200025704644 [2,0,0,0,0,0|1,0,0]=3 1463 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [2,0,0,0,0,0|1,0,1]=4 1464 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [2,0,0,0,0,0|1,0,1]=4 1465 B9R0.2 CCCCCCCC(=O)C 1458a_100000070787_100000210614 [2,0,0,0,0,0|1,0,1]=4 1466 B9R0.2 CCCCCCCC(=O)C 1458a_100000211969_200000210301 [2,0,0,0,0,0|1,0,1]=4 1467 B9R0.2 CCCCCCCC(=O)[13CH3] 1458a_100000211969_200025704644 [2,0,0,0,0,0|1,0,1]=4 1468 B9R0.2 CCCCCOCC(=O)C 34a_100000211253_100000718602 [2,0,0,0,0,0|2,0,0]=4 1469 B9R0.2 CCCCNCCC(=O)C 7a_106832991798_100000053229 [2,0,0,0,0,0|1,0,1]=4 1470 B9R0.2 CCCCOCCC(=O)C 1458a_100000070787_100000743108 [2,0,0,0,0,0|0,0,1]=3 1471 B9R0.2 CCCCOCCC(=O)C 34a_100000759926_100000210210 [2,0,0,0,0,0|0,0,1]=3 1472 B9R0.2 CCCCOCCC(=O)C 7a_100000210227_100000053229 [2,0,0,0,0,0|0,0,1]=3 1473 B9R0.2 CCCCOCCC(=O)C 7a_100000759926_100000210211 [2,0,0,0,0,0|0,0,1]=3 1474 B9R0.2 CCCCOCCC(=O)N 34a_100000210227_100000731001 [2,0,0,0,0,0|1,0,1]=4 1475 B9R0.2 CCCCOCCC(=O)N 34a_100000757172_100000210210 [2,0,0,0,0,0|1,0,1]=4 1476 B9R0.2 CCCCOCCC(=O)N 7a_100000210227_100000744528 [2,0,0,0,0,0|1,0,1]=4 1477 B9R0.2 CCCCOCCC(=O)N 7a_100000757172_100000210211 [2,0,0,0,0,0|1,0,1]=4 1478 B9R0.2 CCCCOCCC(C)C 34a_100000210227_100000210312 [2,0,0,0,0,0|0,0,2]=4 1479 B9R0.2 CCCCOCCC(C)C 34a_100000210254_100000210210 [2,0,0,0,0,0|0,0,2]=4 1480 B9R0.2 CCCCOCCC(C)C 7a_100000210227_100000210626 [2,0,0,0,0,0|0,0,2]=4 1481 B9R0.2 CCCCOCCC(C)C 7a_100000210254_100000210211 [2,0,0,0,0,0|0,0,2]=4 1482 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [2,0,0,0,0,0|1,0,1]=4 1483 B9R0.2 CCCCSCCC(=O)C 62a_100000053229_100000210210 [2,0,0,0,0,0|0,1,1]=4 1484 B9R0.2 CCCCSCCC(=O)C 62a_100000210211_100000053229 [2,0,0,0,0,0|0,1,1]=4 1485 B9R0.2 COCCOCCC(=O)C 1458a_100000070787_100000695917 [2,0,0,0,0,0|1,0,1]=4 1486 B9R0.2 COCCOCCC(=O)C 1458a_100000745395_200000210301 [2,0,0,0,0,0|1,0,1]=4 1487 B9R0.2 COCCOCCC(=O)C 34a_100000759926_100011201679 [2,0,0,0,0,0|1,0,1]=4 1488 B9R0.2 COCCOCCC(=O)C 7a_100000759926_100000233755 [2,0,0,0,0,0|1,0,1]=4 1489 B9R0.2 COCCOCCC(=O)[13CH3] 1458a_100000745395_200025704644 [2,0,0,0,0,0|1,0,1]=4 1490 B9R0.2 COCCOCCC(C)C 34a_100000210237_100000210312 [2,0,0,0,0,0|1,0,1]=4 1491 B9R0.2 COCCOCCC(C)C 34a_100000210254_100011201679 [2,0,0,0,0,0|1,0,1]=4 1492 B9R0.2 COCCOCCC(C)C 7a_100000210254_100000233755 [2,0,0,0,0,0|1,0,1]=4 1493 B9R0.2 CSCCOCCC(=O)C 34a_100000759926_100000212216 [2,0,0,0,0,0|1,0,1]=4 1494 B9R0.2 CSCCOCCC(=O)C 7a_100000230434_100000053229 [2,0,0,0,0,0|1,0,1]=4 1495 B9R0.2 CSCCOCCC(=O)C 7a_100000759926_100000212216 [2,0,0,0,0,0|1,0,1]=4 1496 B9R0.2 CSCCOCCC(C)C 34a_100000210254_100000212216 [2,0,0,0,0,0|1,0,1]=4 1497 B9R0.2 CSCCOCCC(C)C 34a_100000230434_100000210312 [2,0,0,0,0,0|1,0,1]=4 1498 B9R0.2 CSCCOCCC(C)C 7a_100000210254_100000212216 [2,0,0,0,0,0|1,0,1]=4 1499 B9R0.2 CSCCOCCC(C)C 7a_100000230434_100000210626 [2,0,0,0,0,0|1,0,1]=4 1500 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [2,0,0,0,0,0|1,0,1]=4 1501 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [2,0,0,0,0,0|1,0,1]=4 1502 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 1503 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 1504 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 1505 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [2,0,0,0,0,0|1,0,1]=4 1506 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [2,0,0,0,0,0|1,0,1]=4 1507 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [2,0,0,0,0,0|1,0,1]=4 1508 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [2,0,0,0,0,0|1,0,1]=4 1509 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [2,0,0,0,0,0|1,0,1]=4 1510 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [2,0,0,0,0,0|1,0,1]=4 1511 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [2,0,0,0,0,0|1,0,1]=4 1512 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [2,0,0,0,0,0|1,0,1]=4 1513 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [2,0,0,0,0,0|1,0,1]=4 1514 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [2,0,0,0,0,0|1,0,1]=4 1515 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 1516 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [2,0,0,0,0,0|2,0,0]=4 1517 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [2,0,0,0,0,0|2,0,0]=4 1518 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [2,0,0,0,0,0|2,0,0]=4 1519 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [2,0,0,0,0,0|2,0,0]=4 1520 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [2,0,0,0,0,0|2,0,0]=4 1521 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [2,0,0,0,0,0|2,0,0]=4 1522 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [2,0,0,0,0,0|2,0,0]=4 1523 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [2,0,0,0,0,0|2,0,0]=4 1524 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [2,0,0,0,0,0|2,0,0]=4 1525 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [2,0,0,0,0,0|1,0,1]=4 1526 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [2,0,0,0,0,0|1,0,1]=4 1527 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [2,0,0,0,0,0|1,0,1]=4 1528 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [2,0,0,0,0,0|1,0,1]=4 1529 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 1530 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [2,0,0,0,0,0|2,0,0]=4 1531 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [2,0,0,0,0,0|2,0,0]=4 1532 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1533 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1534 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1535 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [2,0,0,0,0,0|2,0,0]=4 1536 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [2,0,0,0,0,0|2,0,0]=4 1537 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1538 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1539 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1540 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [2,0,0,0,0,0|2,0,0]=4 1541 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [2,0,0,0,0,0|2,0,0]=4 1542 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [2,0,0,0,0,0|2,0,0]=4 1543 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [2,0,0,0,0,0|2,0,0]=4 1544 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [2,0,0,0,0,0|2,0,0]=4 1545 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 1546 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [2,0,0,0,0,0|1,0,0]=3 1547 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [2,0,0,0,0,0|1,0,0]=3 1548 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [2,0,0,0,0,0|1,0,0]=3 1549 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [2,0,0,0,0,0|1,0,0]=3 1550 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [2,0,0,0,0,0|1,0,0]=3 1551 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [2,0,0,0,0,0|1,0,0]=3 1552 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [2,0,0,0,0,0|1,0,0]=3 1553 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 1554 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [2,0,0,0,0,0|2,0,0]=4 1555 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [2,0,0,0,0,0|2,0,0]=4 1556 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [2,0,0,0,0,0|2,0,0]=4 1557 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [2,0,0,0,0,0|2,0,0]=4 1558 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [2,0,0,0,0,0|2,0,0]=4 1559 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [2,0,0,0,0,0|2,0,0]=4 1560 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [2,0,0,0,0,0|2,0,0]=4 1561 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [2,0,0,0,0,0|1,0,0]=3 1562 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [2,0,0,0,0,0|2,0,0]=4 1563 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [2,0,0,0,0,0|2,0,0]=4 1564 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [2,0,0,0,0,0|2,0,0]=4 1565 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [2,0,0,0,0,0|2,0,0]=4 1566 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [2,0,0,0,0,0|2,0,0]=4 1567 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [2,0,0,0,0,0|1,0,1]=4 1568 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [2,0,0,0,0,0|0,0,2]=4 1569 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [2,0,0,0,0,0|1,0,1]=4 1570 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [2,0,0,0,0,0|1,0,1]=4 1571 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [2,0,0,0,0,0|1,0,1]=4 1572 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [2,0,0,0,0,0|1,0,0]=3 1573 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [2,0,0,0,0,0|1,0,0]=3 1574 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [2,0,0,0,0,0|1,0,0]=3 1575 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [2,0,0,0,0,0|1,0,1]=4 1576 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [2,0,0,0,0,0|1,0,1]=4 1577 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [2,0,0,0,0,0|0,0,2]=4 1578 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [2,0,0,0,0,0|2,0,0]=4 1579 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [2,0,0,0,0,0|0,0,2]=4 1580 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [2,0,0,0,0,0|2,0,0]=4 1581 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [2,0,0,0,0,0|2,0,0]=4 1582 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [2,0,0,0,0,0|1,0,0]=3 1583 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [2,0,0,0,0,0|2,0,0]=4 1584 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [2,0,0,0,0,0|2,0,0]=4 1585 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [2,0,0,0,0,0|0,0,0]=2 1586 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [2,0,0,0,0,0|2,0,0]=4 1587 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [2,0,0,0,0,0|2,0,0]=4 1588 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [2,0,0,0,0,0|2,0,0]=4 1589 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [2,0,0,0,0,0|2,0,0]=4 1590 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [2,0,0,0,0,0|2,0,0]=4 1591 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [2,0,0,0,0,0|2,0,0]=4 1592 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [2,0,0,0,0,0|2,0,0]=4 1593 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [2,0,0,0,0,0|2,0,0]=4 1594 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [2,0,0,0,0,0|2,0,0]=4 1595 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [2,0,0,0,0,0|2,0,0]=4 1596 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [2,0,0,0,0,0|2,0,0]=4 1597 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [2,0,0,0,0,0|2,0,0]=4 1598 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [2,0,0,0,0,0|2,0,0]=4 1599 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [2,0,0,0,0,0|2,0,0]=4 1600 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [2,0,0,0,0,0|2,0,0]=4 1601 B11R0.1 C=CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210193 [1,1,0,0,0,0|1,0,1]=4 1602 B11R0.1 C=CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210193 [1,1,0,0,0,0|1,0,1]=4 1603 B11R0.1 C=CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210193 [1,1,0,0,0,0|1,0,1]=4 1604 B11R0.1 C=CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210193 [1,1,0,0,0,0|1,0,1]=4 1605 B11R0.1 CC=CC(=O)NC(C)CC(C)C 11a_100000692259_100000210699 [1,1,0,0,0,0|1,0,1]=4 1606 B11R0.1 CC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100000210699 [1,1,0,0,0,0|1,0,1]=4 1607 B11R0.1 CC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100000210699 [1,1,0,0,0,0|1,0,1]=4 1608 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [1,1,0,0,0,0|1,0,1]=4 1609 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [1,1,0,0,0,0|1,0,1]=4 1610 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [1,1,0,0,0,0|1,0,1]=4 1611 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [1,1,0,0,0,0|1,0,1]=4 1612 B11R0.1 COCC(=O)NC(C)CC(C)C 11a_100000692259_100000210968 [1,1,0,0,0,0|2,0,0]=4 1613 B11R0.1 COCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210968 [1,1,0,0,0,0|2,0,0]=4 1614 B11R0.1 COCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210968 [1,1,0,0,0,0|2,0,0]=4 1615 B11R0.1 COCC(=O)NC(C)CC(C)C 527a_100000692259_100000210968 [1,1,0,0,0,0|2,0,0]=4 1616 B11R0.1 CSCC(=O)NC(C)CC(C)C 11a_100000692259_100000184570 [1,1,0,0,0,0|2,0,0]=4 1617 B11R0.1 CSCC(=O)NC(C)CC(C)C 1626a_100000692259_100000184570 [1,1,0,0,0,0|2,0,0]=4 1618 B11R0.1 CSCC(=O)NC(C)CC(C)C 240690a_100000692259_100000184570 [1,1,0,0,0,0|2,0,0]=4 1619 B11R0.1 CSCC(=O)NC(C)CC(C)C 527a_100000692259_100000184570 [1,1,0,0,0,0|2,0,0]=4 1620 B11R0.59 C=CCC(=O)C(C)CCC(C)C 1458a_100000210193_100011261404 [1,1,0,0,0,0|1,0,1]=4 1621 B11R0.59 C=CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210193 [1,1,0,0,0,0|1,0,1]=4 1622 B11R0.59 C=CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210193 [1,1,0,0,0,0|1,0,1]=4 1623 B11R0.59 C=CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210193 [1,1,0,0,0,0|1,0,1]=4 1624 B11R0.59 C=CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210193 [1,1,0,0,0,0|1,0,1]=4 1625 B11R0.59 CC=CC(=O)C(C)CCC(C)C 1458a_100000210699_100011261404 [1,1,0,0,0,0|1,0,1]=4 1626 B11R0.59 CC=CC(=O)N(C)CCC(C)C 11a_100000742789_100000210699 [1,1,0,0,0,0|1,0,1]=4 1627 B11R0.59 CC=CC(=O)N(C)CCC(C)C 1626a_100000742789_100000210699 [1,1,0,0,0,0|1,0,1]=4 1628 B11R0.59 CC=CC(=O)N(C)CCC(C)C 240690a_100000742789_100000210699 [1,1,0,0,0,0|1,0,1]=4 1629 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [1,1,0,0,0,0|1,0,1]=4 1630 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [1,1,0,0,0,0|1,0,1]=4 1631 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [1,1,0,0,0,0|1,0,1]=4 1632 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [1,1,0,0,0,0|1,0,1]=4 1633 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [1,1,0,0,0,0|1,0,1]=4 1634 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [1,1,0,0,0,0|2,0,0]=4 1635 B11R0.59 COCC(=O)N(C)CCC(C)C 11a_100000742789_100000210968 [1,1,0,0,0,0|2,0,0]=4 1636 B11R0.59 COCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210968 [1,1,0,0,0,0|2,0,0]=4 1637 B11R0.59 COCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210968 [1,1,0,0,0,0|2,0,0]=4 1638 B11R0.59 COCC(=O)N(C)CCC(C)C 527a_100000742789_100000210968 [1,1,0,0,0,0|2,0,0]=4 1639 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [1,1,0,0,0,0|2,0,0]=4 1640 B11R0.59 CSCC(=O)N(C)CCC(C)C 11a_100000742789_100000184570 [1,1,0,0,0,0|2,0,0]=4 1641 B11R0.59 CSCC(=O)N(C)CCC(C)C 1626a_100000742789_100000184570 [1,1,0,0,0,0|2,0,0]=4 1642 B11R0.59 CSCC(=O)N(C)CCC(C)C 240690a_100000742789_100000184570 [1,1,0,0,0,0|2,0,0]=4 1643 B11R0.59 CSCC(=O)N(C)CCC(C)C 527a_100000742789_100000184570 [1,1,0,0,0,0|2,0,0]=4 1644 B11R0.141 C=CCC(=O)NCC(O)C(C)C 11a_100000759067_100000210193 [1,1,0,0,0,0|1,0,1]=4 1645 B11R0.141 C=CCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210193 [1,1,0,0,0,0|1,0,1]=4 1646 B11R0.141 C=CCC(=O)NCC(O)C(C)C 527a_100000759067_100000210193 [1,1,0,0,0,0|1,0,1]=4 1647 B11R0.141 CC=CC(=O)NCC(O)C(C)C 11a_100000759067_100000210699 [1,1,0,0,0,0|1,0,1]=4 1648 B11R0.141 CC=CC(=O)NCC(O)C(C)C 240690a_100000759067_100000210699 [1,1,0,0,0,0|1,0,1]=4 1649 B11R0.141 CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211992 [1,1,0,0,0,0|1,0,1]=4 1650 B11R0.141 CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211992 [1,1,0,0,0,0|1,0,1]=4 1651 B11R0.141 CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211992 [1,1,0,0,0,0|1,0,1]=4 1652 B11R0.141 CCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100000034017 [1,1,0,0,0,0|0,0,2]=4 1653 B11R0.141 CCCC(=O)OCN(C)C(C)C 269982a_200000211004_100000034017 [1,1,0,0,0,0|1,0,1]=4 1654 B11R0.141 COCC(=O)NCC(O)C(C)C 11a_100000759067_100000210968 [1,1,0,0,0,0|2,0,0]=4 1655 B11R0.141 COCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210968 [1,1,0,0,0,0|2,0,0]=4 1656 B11R0.141 COCC(=O)NCC(O)C(C)C 527a_100000759067_100000210968 [1,1,0,0,0,0|2,0,0]=4 1657 B11R0.141 CSCC(=O)NCC(O)C(C)C 11a_100000759067_100000184570 [1,1,0,0,0,0|2,0,0]=4 1658 B11R0.141 CSCC(=O)NCC(O)C(C)C 240690a_100000759067_100000184570 [1,1,0,0,0,0|2,0,0]=4 1659 B11R0.141 CSCC(=O)NCC(O)C(C)C 527a_100000759067_100000184570 [1,1,0,0,0,0|2,0,0]=4 1660 B11R0.145 C/C=C(\C)/C(=O)CCCC(C)C 1458a_100020587367_100011214892 [1,1,0,0,0,0|1,0,1]=4 1661 B11R0.145 C/C=C(\C)/C(=O)NCCC(C)C 11a_100000210545_100020587367 [1,1,0,0,0,0|1,0,1]=4 1662 B11R0.145 C/C=C(\C)/C(=O)NCCC(C)C 1626a_100000210545_100020587367 [1,1,0,0,0,0|1,0,1]=4 1663 B11R0.145 C=CC(C)C(=O)CCCC(C)C 1458a_100011216780_100011214892 [1,1,0,0,0,0|1,0,1]=4 1664 B11R0.145 C=CC(C)C(=O)NCCC(C)C 11a_100000210545_100011216780 [1,1,0,0,0,0|1,0,1]=4 1665 B11R0.145 C=CC(C)C(=O)NCCC(C)C 1626a_100000210545_100011216780 [1,1,0,0,0,0|1,0,1]=4 1666 B11R0.145 C=CC(C)C(=O)NCCC(C)C 240690a_100000210545_100011216780 [1,1,0,0,0,0|1,0,1]=4 1667 B11R0.145 C=CC(C)C(=O)NCCC(C)C 527a_100000210545_100011216780 [1,1,0,0,0,0|1,0,1]=4 1668 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_100000735922_200025704644 [1,1,0,0,0,0|2,0,0]=4 1669 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735922 [1,1,0,0,0,0|2,0,0]=4 1670 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 34a_200000034679_200025704644 [1,1,0,0,0,0|1,0,0]=3 1671 B11R0.145 CC(C)CCOC(=O)C(C)O[13CH3] 7a_200000034679_200025704644 [1,1,0,0,0,0|1,0,0]=3 1672 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [1,1,0,0,0,0|1,0,1]=4 1673 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [1,1,0,0,0,0|1,0,1]=4 1674 B11R0.145 CCC(C)C(=O)NCCC(C)C 11a_100000210545_100011192722 [1,1,0,0,0,0|1,0,1]=4 1675 B11R0.145 CCC(C)C(=O)NCCC(C)C 1626a_100000210545_100011192722 [1,1,0,0,0,0|1,0,1]=4 1676 B11R0.145 CCC(C)C(=O)NCCC(C)C 240690a_100000210545_100011192722 [1,1,0,0,0,0|1,0,1]=4 1677 B11R0.145 CCC(C)C(=O)NCCC(C)C 527a_100000210545_100011192722 [1,1,0,0,0,0|1,0,1]=4 1678 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [1,1,0,0,0,0|1,0,1]=4 1679 B11R0.145 CCC(O)C(=O)NCCC(C)C 240690a_100000210545_100011196387 [1,1,0,0,0,0|1,0,1]=4 1680 B11R0.145 CNC(C)C(=O)NCCC(C)C 2230a_106832991635_100000735922 [1,1,0,0,0,0|2,0,0]=4 1681 B11R0.145 CNC(C)C(=O)NCCC(C)C 34a_100102657272_100000735922 [1,1,0,0,0,0|2,0,0]=4 1682 B11R0.145 CNC(C)C(=O)NCCC(C)C 7a_106832991635_100000735922 [1,1,0,0,0,0|2,0,0]=4 1683 B11R0.145 COC(C)C(=O)CCCC(C)C 1458a_100000743197_100011214892 [1,1,0,0,0,0|2,0,0]=4 1684 B11R0.145 COC(C)C(=O)NCCC(C)C 11a_100000210545_100000743197 [1,1,0,0,0,0|2,0,0]=4 1685 B11R0.145 COC(C)C(=O)NCCC(C)C 1626a_100000210545_100000743197 [1,1,0,0,0,0|2,0,0]=4 1686 B11R0.145 COC(C)C(=O)NCCC(C)C 240690a_100000210545_100000743197 [1,1,0,0,0,0|2,0,0]=4 1687 B11R0.145 COC(C)C(=O)NCCC(C)C 34a_100138415774_100000735922 [1,1,0,0,0,0|2,0,0]=4 1688 B11R0.145 COC(C)C(=O)NCCC(C)C 527a_100000210545_100000743197 [1,1,0,0,0,0|2,0,0]=4 1689 B11R0.145 COC(C)C(=O)OCCC(C)C 34a_200000034679_200000210301 [1,1,0,0,0,0|1,0,0]=3 1690 B11R0.145 COC(C)C(=O)OCCC(C)C 7a_200000034679_200000210301 [1,1,0,0,0,0|1,0,0]=3 1691 B11R0.145 CSC(C)C(=O)CCCC(C)C 1458a_100000149566_100011214892 [1,1,0,0,0,0|2,0,0]=4 1692 B11R0.145 CSC(C)C(=O)NCCC(C)C 11a_100000210545_100000149566 [1,1,0,0,0,0|2,0,0]=4 1693 B11R0.145 CSC(C)C(=O)NCCC(C)C 1626a_100000210545_100000149566 [1,1,0,0,0,0|2,0,0]=4 1694 B11R0.145 CSC(C)C(=O)NCCC(C)C 240690a_100000210545_100000149566 [1,1,0,0,0,0|2,0,0]=4 1695 B11R0.145 CSC(C)C(=O)NCCC(C)C 527a_100000210545_100000149566 [1,1,0,0,0,0|2,0,0]=4 1696 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_100000735922_200000210301 [1,1,0,0,0,0|2,0,0]=4 1697 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_200000210301_100000735922 [1,1,0,0,0,0|2,0,0]=4 1698 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [1,1,0,0,0,0|1,0,0]=3 1699 B11R0.147 C/C=C/CC(=O)COCC(C)C 1458a_100011223364_100102629194 [1,1,0,0,0,0|2,0,0]=4 1700 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [1,1,0,0,0,0|1,0,1]=4 1701 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [1,1,0,0,0,0|1,0,1]=4 1702 B11R0.147 C=CCCC(=O)NCCC(C)C 11a_100000210545_100000749702 [1,1,0,0,0,0|1,0,1]=4 1703 B11R0.147 C=CCCC(=O)NCCC(C)C 1626a_100000210545_100000749702 [1,1,0,0,0,0|1,0,1]=4 1704 B11R0.147 C=CCCC(=O)NCCC(C)C 240690a_100000210545_100000749702 [1,1,0,0,0,0|1,0,1]=4 1705 B11R0.147 C=CCCC(=O)NCCC(C)C 527a_100000210545_100000749702 [1,1,0,0,0,0|1,0,1]=4 1706 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [1,1,0,0,0,0|1,0,1]=4 1707 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [1,1,0,0,0,0|1,0,1]=4 1709 B11R0.147 C=CCNC(=O)NCCC(C)C 2708a_100000210545_100020586998 [1,1,0,0,0,0|1,0,1]=4 1710 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100000210545_100020586998 [1,1,0,0,0,0|1,0,1]=4 1711 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100020586998_100000210545 [1,1,0,0,0,0|1,0,1]=4 1712 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100000210545_100020586998 [1,1,0,0,0,0|1,0,1]=4 1713 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100020586998_100000210545 [1,1,0,0,0,0|1,0,1]=4 1714 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [1,1,0,0,0,0|1,0,1]=4 1715 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [1,1,0,0,0,0|1,0,1]=4 1716 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [1,1,0,0,0,0|1,0,1]=4 1717 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [1,1,0,0,0,0|1,0,0]=3 1718 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [1,1,0,0,0,0|1,0,0]=3 1719 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [1,1,0,0,0,0|2,0,0]=4 1720 B11R0.147 CC=CCC(=O)CCCN(C)C 1458a_100121576822_100000695564 [1,1,0,0,0,0|2,0,0]=4 1721 B11R0.147 CC=CCC(=O)CCOC(C)C 1458a_100121576822_100000211751 [1,1,0,0,0,0|2,0,0]=4 1722 B11R0.147 CC=CCC(=O)CCSC(C)C 1458a_100121576822_100000730970 [1,1,0,0,0,0|2,0,0]=4 1723 B11R0.147 CC=CCC(=O)COCC(C)C 1458a_100011223364_100000070051 [1,1,0,0,0,0|2,0,0]=4 1724 B11R0.147 CC=CCC(=O)NCCC(C)C 11a_100000210545_100121576822 [1,1,0,0,0,0|1,0,0]=3 1725 B11R0.147 CC=CCC(=O)NCCC(C)C 1626a_100000210545_100121576822 [1,1,0,0,0,0|1,0,0]=3 1726 B11R0.147 CC=CCC(=O)NCCC(C)C 240690a_100000210545_100121576822 [1,1,0,0,0,0|1,0,0]=3 1727 B11R0.147 CC=CCC(=O)NCCC(C)C 527a_100000210545_100121576822 [1,1,0,0,0,0|1,0,0]=3 1728 B11R0.147 CC=CCC(=O)NCCC(C)O 240690a_200000755665_100121576822 [1,1,0,0,0,0|2,0,0]=4 1729 B11R0.147 CC=CCC(=O)NCCC(C)O 527a_200000755665_100121576822 [1,1,0,0,0,0|2,0,0]=4 1730 B11R0.147 CC=CCC(=O)NCCN(C)C 240690a_100000210585_100121576822 [1,1,0,0,0,0|2,0,0]=4 1731 B11R0.147 CC=CCC(=O)NCCN(C)C 527a_100000210585_100121576822 [1,1,0,0,0,0|2,0,0]=4 1732 B11R0.147 CC=CCC(=O)NNCC(C)C 22a_100000696102_100121576822 [1,1,0,0,0,0|2,0,0]=4 1733 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [1,1,0,0,0,0|1,0,1]=4 1734 B11R0.147 CCC=CC(=O)NCCC(C)C 11a_100000210545_100000212282 [1,1,0,0,0,0|1,0,1]=4 1735 B11R0.147 CCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212282 [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.147 CCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212282 [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [1,1,0,0,0,0|1,0,1]=4 1738 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [1,1,0,0,0,0|1,0,1]=4 1739 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [1,1,0,0,0,0|1,0,1]=4 1740 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [1,1,0,0,0,0|1,0,1]=4 1742 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [1,1,0,0,0,0|1,0,1]=4 1743 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [1,1,0,0,0,0|1,0,1]=4 1744 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [1,1,0,0,0,0|1,0,1]=4 1745 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [1,1,0,0,0,0|1,0,1]=4 1746 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [1,1,0,0,0,0|1,0,1]=4 1747 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [1,1,0,0,0,0|1,0,1]=4 1748 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [1,1,0,0,0,0|1,0,1]=4 1749 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [1,1,0,0,0,0|1,0,1]=4 1750 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [1,1,0,0,0,0|1,0,1]=4 1751 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [1,1,0,0,0,0|1,0,1]=4 1752 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [1,1,0,0,0,0|1,0,1]=4 1757 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [1,1,0,0,0,0|1,0,1]=4 1758 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [1,1,0,0,0,0|1,0,1]=4 1759 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [1,1,0,0,0,0|1,0,1]=4 1760 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [1,1,0,0,0,0|1,0,1]=4 1761 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [1,1,0,0,0,0|1,0,1]=4 1762 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [1,1,0,0,0,0|1,0,1]=4 1763 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [1,1,0,0,0,0|1,0,1]=4 1764 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [1,1,0,0,0,0|1,0,1]=4 1765 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [1,1,0,0,0,0|1,0,1]=4 1766 B11R0.147 COC=CC(=O)CCCC(C)C 1458a_100016268678_100011214892 [1,1,0,0,0,0|1,0,1]=4 1767 B11R0.147 COC=CC(=O)NCCC(C)C 1626a_100000210545_100016268678 [1,1,0,0,0,0|1,0,1]=4 1768 B11R0.147 COC=CC(=O)NCCC(C)C 240690a_100000210545_100016268678 [1,1,0,0,0,0|1,0,1]=4 1769 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [1,1,0,0,0,0|1,0,1]=4 1770 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [1,1,0,0,0,0|1,0,1]=4 1772 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [1,1,0,0,0,0|1,0,1]=4 1773 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [1,1,0,0,0,0|1,0,1]=4 1774 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [1,1,0,0,0,0|1,0,1]=4 1775 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [1,1,0,0,0,0|1,0,1]=4 1776 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [1,1,0,0,0,0|1,0,1]=4 1777 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [1,1,0,0,0,0|1,0,1]=4 1778 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [1,1,0,0,0,0|1,0,1]=4 1779 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [1,1,0,0,0,0|1,0,1]=4 1780 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [1,1,0,0,0,0|1,0,1]=4 1781 B11R0.174 C=CCC(=O)NCCC(C)CC 11a_100020591266_100000210193 [1,1,0,0,0,0|1,0,1]=4 1782 B11R0.174 C=CCC(=O)NCCC(C)CC 1626a_100020591266_100000210193 [1,1,0,0,0,0|1,0,1]=4 1783 B11R0.174 C=CCC(=O)NCCC(C)CC 240690a_100020591266_100000210193 [1,1,0,0,0,0|1,0,1]=4 1784 B11R0.174 C=CCC(=O)NCCC(C)CC 527a_100020591266_100000210193 [1,1,0,0,0,0|1,0,1]=4 1785 B11R0.174 C=CCC(=O)NCCC(C)CO 240690a_106354213184_100000210193 [1,1,0,0,0,0|1,0,1]=4 1786 B11R0.174 C=CCC(=O)NCCC(C)CO 527a_106354213184_100000210193 [1,1,0,0,0,0|1,0,1]=4 1787 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [1,1,0,0,0,0|1,0,1]=4 1788 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [1,1,0,0,0,0|1,0,1]=4 1789 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.174 CC=CC(=O)NCCC(C)CO 240690a_106354213184_100000210699 [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [1,1,0,0,0,0|2,0,0]=4 1792 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [1,1,0,0,0,0|2,0,0]=4 1793 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [1,1,0,0,0,0|2,0,0]=4 1794 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [1,1,0,0,0,0|2,0,0]=4 1795 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [1,1,0,0,0,0|2,0,0]=4 1796 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [1,1,0,0,0,0|2,0,0]=4 1797 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [1,1,0,0,0,0|2,0,0]=4 1798 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [1,1,0,0,0,0|2,0,0]=4 1799 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 1800 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 1801 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 1802 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [1,1,0,0,0,0|1,0,1]=4 1803 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [1,1,0,0,0,0|1,0,1]=4 1804 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [1,1,0,0,0,0|1,0,1]=4 1805 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [1,1,0,0,0,0|1,0,1]=4 1806 B11R0.174 CCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100000034017 [1,1,0,0,0,0|1,0,1]=4 1807 B11R0.174 CCCC(=O)OCOC(C)CF 34a_100016041109_100000034017 [1,1,0,0,0,0|1,0,1]=4 1808 B11R0.174 CCCC(=O)OCOC(C)CN 34a_100000210904_100000034017 [1,1,0,0,0,0|1,0,1]=4 1809 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [1,1,0,0,0,0|1,0,1]=4 1810 B11R0.174 CCCC(=O)OCSC(C)CO 62a_100012180447_100000034017 [1,1,0,0,0,0|1,0,1]=4 1811 B11R0.174 CCCC(=O)OCSC(C)OC 62a_100009879195_100000034017 [1,1,0,0,0,0|1,0,1]=4 1812 B11R0.174 CCCC(=O)OCS[C@H](C)CO 62a_100016084084_100000034017 [1,1,0,0,0,0|1,0,1]=4 1813 B11R0.174 COCC(=O)NCCC(C)CO 240690a_106354213184_100000210968 [1,1,0,0,0,0|2,0,0]=4 1814 B11R0.174 COCC(=O)NCCC(C)CO 527a_106354213184_100000210968 [1,1,0,0,0,0|2,0,0]=4 1815 B11R0.174 CSCC(=O)NCCC(C)CO 240690a_106354213184_100000184570 [1,1,0,0,0,0|2,0,0]=4 1816 B11R0.174 CSCC(=O)NCCC(C)CO 527a_106354213184_100000184570 [1,1,0,0,0,0|2,0,0]=4 1817 B11R0.180 C=CCC(=O)NCCC(C)(C)C 11a_100000738805_100000210193 [1,1,0,0,0,0|1,0,1]=4 1818 B11R0.180 C=CCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210193 [1,1,0,0,0,0|1,0,1]=4 1819 B11R0.180 C=CCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210193 [1,1,0,0,0,0|1,0,1]=4 1820 B11R0.180 C=CCC(=O)NCCC(C)(C)C 527a_100000738805_100000210193 [1,1,0,0,0,0|1,0,1]=4 1821 B11R0.180 C=CCC(=O)NCCC(C)(C)F 11a_100016253952_100000210193 [1,1,0,0,0,0|1,0,1]=4 1822 B11R0.180 C=CCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210193 [1,1,0,0,0,0|1,0,1]=4 1823 B11R0.180 C=CCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210193 [1,1,0,0,0,0|1,0,1]=4 1824 B11R0.180 C=CCC(=O)NCCC(C)(C)F 527a_100016253952_100000210193 [1,1,0,0,0,0|1,0,1]=4 1825 B11R0.180 C=CCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210193 [1,1,0,0,0,0|1,0,1]=4 1826 B11R0.180 C=CCC(=O)NCCC(C)(C)O 527a_100000707701_100000210193 [1,1,0,0,0,0|1,0,1]=4 1827 B11R0.180 CC=CC(=O)NCCC(C)(C)C 11a_100000738805_100000210699 [1,1,0,0,0,0|1,0,1]=4 1828 B11R0.180 CC=CC(=O)NCCC(C)(C)C 1626a_100000738805_100000210699 [1,1,0,0,0,0|1,0,1]=4 1829 B11R0.180 CC=CC(=O)NCCC(C)(C)C 240690a_100000738805_100000210699 [1,1,0,0,0,0|1,0,1]=4 1830 B11R0.180 CC=CC(=O)NCCC(C)(C)F 11a_100016253952_100000210699 [1,1,0,0,0,0|1,0,1]=4 1831 B11R0.180 CC=CC(=O)NCCC(C)(C)F 1626a_100016253952_100000210699 [1,1,0,0,0,0|1,0,1]=4 1832 B11R0.180 CC=CC(=O)NCCC(C)(C)F 240690a_100016253952_100000210699 [1,1,0,0,0,0|1,0,1]=4 1833 B11R0.180 CC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100000210699 [1,1,0,0,0,0|1,0,1]=4 1834 B11R0.180 CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000211992 [1,1,0,0,0,0|1,0,1]=4 1835 B11R0.180 CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211992 [1,1,0,0,0,0|1,0,1]=4 1836 B11R0.180 CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211992 [1,1,0,0,0,0|1,0,1]=4 1837 B11R0.180 CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000211992 [1,1,0,0,0,0|1,0,1]=4 1838 B11R0.180 CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000211992 [1,1,0,0,0,0|1,0,1]=4 1839 B11R0.180 CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211992 [1,1,0,0,0,0|1,0,1]=4 1840 B11R0.180 CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211992 [1,1,0,0,0,0|1,0,1]=4 1841 B11R0.180 CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000211992 [1,1,0,0,0,0|1,0,1]=4 1842 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [1,1,0,0,0,0|1,0,1]=4 1843 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [1,1,0,0,0,0|1,0,1]=4 1844 B11R0.180 CCCC(=O)OCNC(C)(C)C 2230a_100000715429_100000034017 [1,1,0,0,0,0|1,0,1]=4 1845 B11R0.180 CCCC(=O)OCOC(C)(C)C 34a_100015890283_100000034017 [1,1,0,0,0,0|1,0,1]=4 1846 B11R0.180 CCCC(=O)OCSC(C)(C)C 62a_100000211941_100000034017 [1,1,0,0,0,0|1,0,1]=4 1847 B11R0.180 COCC(=O)NCCC(C)(C)C 11a_100000738805_100000210968 [1,1,0,0,0,0|2,0,0]=4 1848 B11R0.180 COCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210968 [1,1,0,0,0,0|2,0,0]=4 1849 B11R0.180 COCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210968 [1,1,0,0,0,0|2,0,0]=4 1850 B11R0.180 COCC(=O)NCCC(C)(C)C 527a_100000738805_100000210968 [1,1,0,0,0,0|2,0,0]=4 1851 B11R0.180 COCC(=O)NCCC(C)(C)F 11a_100016253952_100000210968 [1,1,0,0,0,0|2,0,0]=4 1852 B11R0.180 COCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210968 [1,1,0,0,0,0|2,0,0]=4 1853 B11R0.180 COCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210968 [1,1,0,0,0,0|2,0,0]=4 1854 B11R0.180 COCC(=O)NCCC(C)(C)F 527a_100016253952_100000210968 [1,1,0,0,0,0|2,0,0]=4 1855 B11R0.180 COCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210968 [1,1,0,0,0,0|2,0,0]=4 1856 B11R0.180 COCC(=O)NCCC(C)(C)O 527a_100000707701_100000210968 [1,1,0,0,0,0|2,0,0]=4 1857 B11R0.180 CSCC(=O)NCCC(C)(C)C 11a_100000738805_100000184570 [1,1,0,0,0,0|2,0,0]=4 1858 B11R0.180 CSCC(=O)NCCC(C)(C)C 1626a_100000738805_100000184570 [1,1,0,0,0,0|2,0,0]=4 1859 B11R0.180 CSCC(=O)NCCC(C)(C)C 240690a_100000738805_100000184570 [1,1,0,0,0,0|2,0,0]=4 1860 B11R0.180 CSCC(=O)NCCC(C)(C)C 527a_100000738805_100000184570 [1,1,0,0,0,0|2,0,0]=4 1861 B11R0.180 CSCC(=O)NCCC(C)(C)F 11a_100016253952_100000184570 [1,1,0,0,0,0|2,0,0]=4 1862 B11R0.180 CSCC(=O)NCCC(C)(C)F 1626a_100016253952_100000184570 [1,1,0,0,0,0|2,0,0]=4 1863 B11R0.180 CSCC(=O)NCCC(C)(C)F 240690a_100016253952_100000184570 [1,1,0,0,0,0|2,0,0]=4 1864 B11R0.180 CSCC(=O)NCCC(C)(C)F 527a_100016253952_100000184570 [1,1,0,0,0,0|2,0,0]=4 1865 B11R0.180 CSCC(=O)NCCC(C)(C)O 1626a_100000707701_100000184570 [1,1,0,0,0,0|2,0,0]=4 1866 B11R0.180 CSCC(=O)NCCC(C)(C)O 527a_100000707701_100000184570 [1,1,0,0,0,0|2,0,0]=4 1867 B11R0.2 C=C(C)CC(=O)C=CCCCC 1458a_100016266645_100000748629 [1,1,0,0,0,0|2,0,0]=4 1868 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [1,1,0,0,0,0|2,0,0]=4 1869 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [1,1,0,0,0,0|2,0,0]=4 1870 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [1,1,0,0,0,0|1,0,0]=3 1871 B11R0.2 C=C(C)CC(=O)COCCOC 1458a_100000211095_100000748629 [1,1,0,0,0,0|2,0,0]=4 1872 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [1,1,0,0,0,0|1,1,0]=4 1873 B11R0.2 C=C(F)CC(=O)COCCCC 1458a_100000757543_100009893438 [1,1,0,0,0,0|1,0,1]=4 1874 B11R0.2 CC(=O)CC(=O)OCCSCF 62a_100000102702_100015361967 [1,1,0,0,0,0|1,0,0]=3 1875 B11R0.2 CC(=O)CC(=O)OCCSCF 62a_100015361967_100000102702 [1,1,0,0,0,0|1,0,0]=3 1876 B11R0.2 CCCCC=CC(=O)CC(=O)N 1458a_100016266645_100000187820 [1,1,0,0,0,0|2,0,0]=4 1877 B11R0.2 CCCCC=CC(=O)CC(=O)[O-] 1458a_100016266645_100020667443 [1,1,0,0,0,0|2,0,0]=4 1878 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100102632555_100000187820 [1,1,0,0,0,0|2,0,0]=4 1879 B11R0.2 CCCCCCC(=O)CC(=O)N 1458a_100134613110_100000210757 [1,1,0,0,0,0|2,0,0]=4 1880 B11R0.2 CCCCCCC(=O)CC(=O)[O-] 1458a_100102632555_100020667443 [1,1,0,0,0,0|2,0,0]=4 1881 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [1,1,0,0,0,0|1,0,0]=3 1882 B11R0.2 CCCCCNC(=O)CC(=O)N 240690a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 1883 B11R0.2 CCCCCNC(=O)CC(=O)N 527a_100000209983_100134613110 [1,1,0,0,0,0|2,0,0]=4 1884 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [1,1,0,0,0,0|2,0,0]=4 1885 B11R0.2 CCCCNNC(=O)CC(=O)N 22a_100025702795_100134613110 [1,1,0,0,0,0|2,0,0]=4 1886 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [1,1,0,0,0,0|1,0,1]=4 1887 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [1,1,0,0,0,0|1,0,1]=4 1888 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [1,1,0,0,0,0|1,0,1]=4 1889 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100000757543_100000187820 [1,1,0,0,0,0|1,0,0]=3 1890 B11R0.2 CCCCOCC(=O)CC(=O)N 1458a_100134613110_100011995733 [1,1,0,0,0,0|1,0,0]=3 1891 B11R0.2 CCCCOCC(=O)CC(=O)[O-] 1458a_100000757543_100020667443 [1,1,0,0,0,0|1,0,0]=3 1892 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [1,1,0,0,0,0|1,0,1]=4 1893 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [1,1,0,0,0,0|1,0,1]=4 1894 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [1,1,0,0,0,0|0,0,2]=4 1895 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [1,1,0,0,0,0|2,0,0]=4 1896 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [1,1,0,0,0,0|0,0,2]=4 1897 B11R0.2 CCCCOCC(=O)C[N+](=O)[O-] 1458a_100000757543_100000761209 [1,1,0,0,0,0|2,0,0]=4 1898 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [1,1,0,0,0,0|2,0,0]=4 1899 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [1,1,0,0,0,0|1,0,0]=3 1900 B11R0.2 CCCCOCC(=O)NC(=O)N 7a_100000210227_100000182717 [1,1,0,0,0,0|2,0,0]=4 1901 B11R0.2 CCCCSCC(=O)CC(=O)N 1458a_100000191162_100000187820 [1,1,0,0,0,0|1,1,0]=4 1902 B11R0.2 CCCCSCC(=O)CC(=O)[O-] 1458a_100000191162_100020667443 [1,1,0,0,0,0|1,1,0]=4 1903 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [1,1,0,0,0,0|1,1,0]=4 1904 B11R0.2 CCCOCCC(=O)CC(=O)N 1458a_100134613110_100011215938 [1,1,0,0,0,0|2,0,0]=4 1905 B11R0.2 CCOCCCC(=O)CC(=O)N 1458a_100134613110_100012232248 [1,1,0,0,0,0|2,0,0]=4 1906 B11R0.2 CCOCCNC(=O)CC(=O)N 240690a_100011200944_100134613110 [1,1,0,0,0,0|2,0,0]=4 1907 B11R0.2 CCOCCNC(=O)CC(=O)N 527a_100011200944_100134613110 [1,1,0,0,0,0|2,0,0]=4 1908 B11R0.2 CCOCCOC(=O)CC(=O)C 1458a_100000070787_200000101388 [1,1,0,0,0,0|0,0,0]=2 1909 B11R0.2 CCOCCOC(=O)CC(=O)C 34a_100121572206_100000102702 [1,1,0,0,0,0|0,0,0]=2 1910 B11R0.2 CCOCCOC(=O)CN(C)C 2230a_100102631434_200000101388 [1,1,0,0,0,0|2,0,0]=4 1911 B11R0.2 CCOCCOC(=O)CN(C)C 269982a_100102631434_200000101388 [1,1,0,0,0,0|2,0,0]=4 1912 B11R0.2 CCSCCNC(=O)CC(=O)N 240690a_100000106463_100134613110 [1,1,0,0,0,0|2,0,0]=4 1913 B11R0.2 CCSCCNC(=O)CC(=O)N 527a_100000106463_100134613110 [1,1,0,0,0,0|2,0,0]=4 1914 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000102702_100000210202 [1,1,0,0,0,0|0,0,0]=2 1915 B11R0.2 CCSCCOC(=O)CC(=O)C 62a_100000210202_100000102702 [1,1,0,0,0,0|0,0,0]=2 1916 B11R0.2 CCSCCOC(=O)NC(=O)N 62a_100000210202_100000054987 [1,1,0,0,0,0|2,0,0]=4 1917 B11R0.2 CNCCCOC(=O)NC(=O)N 2230a_106832991635_100000057794 [1,1,0,0,0,0|2,0,0]=4 1918 B11R0.2 CNCCCOC(=O)NC(=O)N 7a_106832991635_100000057794 [1,1,0,0,0,0|2,0,0]=4 1919 B11R0.2 COCCCCC(=O)CC(=O)N 1458a_100134613110_100000755781 [1,1,0,0,0,0|2,0,0]=4 1920 B11R0.2 COCCCNC(=O)CC(=O)C 1458a_100000070787_100000183178 [1,1,0,0,0,0|1,0,0]=3 1921 B11R0.2 COCCCNC(=O)CC(=O)N 240690a_100150723488_100134613110 [1,1,0,0,0,0|2,0,0]=4 1922 B11R0.2 COCCCNC(=O)CC(=O)N 527a_100150723488_100134613110 [1,1,0,0,0,0|2,0,0]=4 1923 B11R0.2 COCCOCC(=O)CC(=O)N 1458a_100000211095_100000187820 [1,1,0,0,0,0|2,0,0]=4 1924 B11R0.2 COCCOCC(=O)CC(=O)[O-] 1458a_100000211095_100020667443 [1,1,0,0,0,0|2,0,0]=4 1925 B11R0.2 CSCCCNC(=O)CC(=O)N 240690a_100000749238_100134613110 [1,1,0,0,0,0|2,0,0]=4 1926 B11R0.2 CSCCCNC(=O)CC(=O)N 527a_100000749238_100134613110 [1,1,0,0,0,0|2,0,0]=4 1927 B11R0.2 CSCCCOC(=O)NC(=O)N 62a_200000210301_100000057794 [1,1,0,0,0,0|2,0,0]=4 1928 B11R0.2 CSCCOCC(=O)NC(=O)C 7a_100000230434_100000183797 [1,1,0,0,0,0|2,0,0]=4 1929 B11R0.2 NC(=O)CC(=O)CCCCCF 1458a_100134613110_100000729378 [1,1,0,0,0,0|2,0,0]=4 1930 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100102619762_100000187820 [1,1,0,0,0,0|2,0,0]=4 1931 B11R0.2 NC(=O)CC(=O)CCCCCO 1458a_100134613110_100000746330 [1,1,0,0,0,0|2,0,0]=4 1932 B11R0.2 NC(=O)CC(=O)NCCCCO 240690a_100000750430_100134613110 [1,1,0,0,0,0|2,0,0]=4 1933 B11R0.2 NC(=O)CC(=O)NCCCCO 527a_100000750430_100134613110 [1,1,0,0,0,0|2,0,0]=4 1934 B11R0.2 O=C([O-])CC(=O)CCCCCO 1458a_100102619762_100020667443 [1,1,0,0,0,0|2,0,0]=4 1935 B11R0.2 [13CH3]SCCCOC(=O)NC(=O)N 62a_200025704644_100000057794 [1,1,0,0,0,0|2,0,0]=4 1936 B11R0.68 C=C(C)CC(=O)C(C)CCCC 1458a_100000725509_100000748629 [1,1,0,0,0,0|2,0,0]=4 1937 B11R0.68 C=C(C)CC(=O)C(O)CCCC 1458a_100000720857_100000748629 [1,1,0,0,0,0|2,0,0]=4 1938 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100000725509_100000187820 [1,1,0,0,0,0|2,0,0]=4 1939 B11R0.68 CCCCC(C)C(=O)CC(=O)N 1458a_100134613110_200011215066 [1,1,0,0,0,0|2,0,0]=4 1940 B11R0.68 CCCCC(C)C(=O)CC(=O)[O-] 1458a_100000725509_100020667443 [1,1,0,0,0,0|2,0,0]=4 1941 B11R0.68 CCCCC(O)C(=O)CC(=O)N 1458a_100000720857_100000187820 [1,1,0,0,0,0|2,0,0]=4 1942 B11R0.68 CCCCC(O)C(=O)CC(=O)[O-] 1458a_100000720857_100020667443 [1,1,0,0,0,0|2,0,0]=4 1943 B11R0.68 CCCCN(C)C(=O)CC(=O)C 1458a_100000070787_100000230175 [1,1,0,0,0,0|1,0,0]=3 1944 B11R0.68 CCCCN(C)C(=O)CC(=O)N 240690a_100000207549_100134613110 [1,1,0,0,0,0|2,0,0]=4 1945 B11R0.68 CCCCN(C)C(=O)CC(=O)N 527a_100000207549_100134613110 [1,1,0,0,0,0|2,0,0]=4 1946 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [1,1,0,0,0,0|2,0,0]=4 1947 B11R0.107 CC(=O)CC(=O)NCC(O)CO 1458a_100000070787_200012027429 [1,1,0,0,0,0|2,0,0]=4 1948 B11R0.107 CCC(C)CCC(=O)CC(=O)N 1458a_100000701222_100000187820 [1,1,0,0,0,0|2,0,0]=4 1949 B11R0.107 CCC(C)CCC(=O)CC(=O)[O-] 1458a_100000701222_100020667443 [1,1,0,0,0,0|2,0,0]=4 1950 B11R0.107 CCC(C)CNC(=O)CC(=O)N 240690a_100020588543_100134613110 [1,1,0,0,0,0|2,0,0]=4 1951 B11R0.107 CCC(C)CNC(=O)CC(=O)N 527a_100020588543_100134613110 [1,1,0,0,0,0|2,0,0]=4 1952 B11R0.107 CCC(O)CNC(=O)CC(=O)N 240690a_100011218483_100134613110 [1,1,0,0,0,0|2,0,0]=4 1953 B11R0.107 CCC(O)CNC(=O)CC(=O)N 527a_100011218483_100134613110 [1,1,0,0,0,0|2,0,0]=4 1954 B11R0.139 CC(=O)C(C)C(=O)CCCCO 1458a_100000695505_100000179758 [1,1,0,0,0,0|2,0,0]=4 1955 B11R0.139 CCCC#CC(=O)C(C)C(=O)C 1458a_200011218047_100000179758 [1,1,0,0,0,0|1,0,1]=4 1956 B11R0.139 CCCC=CC(=O)C(C)C(=O)C 1458a_100000212230_100000179758 [1,1,0,0,0,0|1,0,1]=4 1957 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [1,1,0,0,0,0|1,0,0]=3 1958 B11R0.139 CCCCCC(=O)C(C)C(=O)N 1458a_100000212188_100000702099 [1,1,0,0,0,0|2,0,0]=4 1959 B11R0.139 CCCCCC(=O)C(F)C(=O)N 1458a_100000212188_100009813875 [1,1,0,0,0,0|2,0,0]=4 1960 B11R0.139 CCCCCC(=O)C(F)C(=O)[O-] 1458a_100000212188_100020610796 [1,1,0,0,0,0|2,0,0]=4 1961 B11R0.139 CCCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000735917 [1,1,0,0,0,0|1,0,0]=3 1962 B11R0.139 CCCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000759602 [1,1,0,0,0,0|0,0,0]=2 1963 B11R0.139 CCCCOC(=O)C(C)N(C)C 2230a_100102631434_100000759602 [1,1,0,0,0,0|2,0,0]=4 1964 B11R0.139 CCCCOC(=O)C(C)N(C)C 269982a_100102631434_100000759602 [1,1,0,0,0,0|2,0,0]=4 1965 B11R0.139 CCCOCC(=O)C(C)C(=O)C 1458a_100000745993_100000179758 [1,1,0,0,0,0|2,0,0]=4 1966 B11R0.139 CCCSCC(=O)C(C)C(=O)C 1458a_100000217233_100000179758 [1,1,0,0,0,0|2,0,0]=4 1967 B11R0.139 CCOCCC(=O)C(C)C(=O)C 1458a_100000749530_100000179758 [1,1,0,0,0,0|2,0,0]=4 1968 B11R0.139 CCSCCC(=O)C(C)C(=O)C 1458a_100000230768_100000179758 [1,1,0,0,0,0|2,0,0]=4 1969 B11R0.139 COCCCC(=O)C(C)C(=O)C 1458a_100000741012_100000179758 [1,1,0,0,0,0|2,0,0]=4 1970 B11R0.139 COCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230274 [1,1,0,0,0,0|2,0,0]=4 1971 B11R0.139 CSCCCC(=O)C(C)C(=O)C 1458a_100000173376_100000179758 [1,1,0,0,0,0|2,0,0]=4 1972 B11R0.154 C#CC(=O)CC(=O)CCCCC 1458a_100000211873_200012276598 [1,1,0,0,0,0|1,0,1]=4 1973 B11R0.154 C#CC(=O)CC(=O)NCCCC 1458a_100000211873_100000182744 [1,1,0,0,0,0|1,0,1]=4 1974 B11R0.154 C#CC(=O)CC(=O)OCCCC 1458a_100000211873_100000211628 [1,1,0,0,0,0|0,0,1]=3 1975 B11R0.154 C#CC(=O)CC(=O)OCCOC 1458a_100000211873_200000040189 [1,1,0,0,0,0|1,0,1]=4 1976 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [1,1,0,0,0,0|1,0,1]=4 1977 B11R0.154 C=CC(=O)CC(=O)NCCCC 1458a_100000185746_100000182744 [1,1,0,0,0,0|1,0,1]=4 1978 B11R0.154 C=CC(=O)CC(=O)OCCCC 1458a_100000185746_100000211628 [1,1,0,0,0,0|0,0,1]=3 1979 B11R0.154 C=CC(=O)CC(=O)OCCOC 1458a_100000185746_200000040189 [1,1,0,0,0,0|1,0,1]=4 1980 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [1,1,0,0,0,0|2,0,0]=4 1981 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [1,1,0,0,0,0|2,0,0]=4 1982 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [1,1,0,0,0,0|2,0,0]=4 1983 B11R0.154 CCC(=O)CC(=O)NCCOC 1458a_100000210414_100000183275 [1,1,0,0,0,0|2,0,0]=4 1984 B11R0.154 CCC(=O)CC(=O)OCCOC 1458a_100000210414_200000040189 [1,1,0,0,0,0|1,0,0]=3 1985 B11R0.154 CCCC#CC(=O)CC(=O)CC 1458a_200011218047_100000747405 [1,1,0,0,0,0|1,0,1]=4 1986 B11R0.154 CCCC#CC(=O)CC(=O)NC 1458a_200011218047_100000183359 [1,1,0,0,0,0|1,0,1]=4 1987 B11R0.154 CCCC#CC(=O)CC(=O)OC 1458a_200011218047_100000747449 [1,1,0,0,0,0|1,0,1]=4 1988 B11R0.154 CCCC=CC(=O)CC(=O)CC 1458a_100000212230_100000747405 [1,1,0,0,0,0|1,0,1]=4 1989 B11R0.154 CCCC=CC(=O)CC(=O)NC 1458a_100000212230_100000183359 [1,1,0,0,0,0|1,0,1]=4 1990 B11R0.154 CCCC=CC(=O)CC(=O)OC 1458a_100000212230_100000747449 [1,1,0,0,0,0|1,0,1]=4 1991 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [1,1,0,0,0,0|1,0,0]=3 1992 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [1,1,0,0,0,0|1,0,0]=3 1993 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [1,1,0,0,0,0|1,0,0]=3 1994 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [1,1,0,0,0,0|1,0,0]=3 1995 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [1,1,0,0,0,0|1,0,0]=3 1996 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [1,1,0,0,0,0|1,0,0]=3 1997 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [1,1,0,0,0,0|1,0,0]=3 1998 B11R0.154 CCCCNC(=O)CC(=O)CO 1458a_100000210174_100000182744 [1,1,0,0,0,0|1,0,0]=3 1999 B11R0.154 CCCCNC(=O)CC(=O)OC 240690a_100000102301_100000211351 [1,1,0,0,0,0|1,0,0]=3 2000 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [1,1,0,0,0,0|0,0,0]=2 2001 B11R0.154 CCCCOC(=O)CC(=O)CO 1458a_100000210174_100000211628 [1,1,0,0,0,0|0,0,0]=2 2002 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [1,1,0,0,0,0|2,0,0]=4 2003 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [1,1,0,0,0,0|2,0,0]=4 2004 B11R0.154 CCCCOC(C)CC(=O)OC 34a_100000210227_100009817358 [1,1,0,0,0,0|1,0,1]=4 2005 B11R0.154 CCCCOC(C)CC(=O)OC 7a_100000210227_100009817358 [1,1,0,0,0,0|1,0,1]=4 2006 B11R0.154 CCCNNC(=O)CC(=O)OC 22a_100000740057_100000211351 [1,1,0,0,0,0|2,0,0]=4 2007 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [1,1,0,0,0,0|2,0,0]=4 2008 B11R0.154 CCCOCC(=O)CC(=O)NC 1458a_100000745993_100000183359 [1,1,0,0,0,0|2,0,0]=4 2009 B11R0.154 CCCOCC(=O)CC(=O)OC 1458a_100000745993_100000747449 [1,1,0,0,0,0|2,0,0]=4 2010 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [1,1,0,0,0,0|2,0,0]=4 2011 B11R0.154 CCCSCC(=O)CC(=O)NC 1458a_100000217233_100000183359 [1,1,0,0,0,0|2,0,0]=4 2012 B11R0.154 CCCSCC(=O)CC(=O)OC 1458a_100000217233_100000747449 [1,1,0,0,0,0|2,0,0]=4 2013 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210303_100000210525 [1,1,0,0,0,0|2,0,0]=4 2014 B11R0.154 CCCSCC(=O)CC(=O)OC 62a_100000210525_100000210303 [1,1,0,0,0,0|2,0,0]=4 2015 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [1,1,0,0,0,0|2,0,0]=4 2016 B11R0.154 CCOCCC(=O)CC(=O)NC 1458a_100000749530_100000183359 [1,1,0,0,0,0|2,0,0]=4 2017 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000211351_100011215890 [1,1,0,0,0,0|2,0,0]=4 2018 B11R0.154 CCOCCC(=O)CC(=O)OC 1458a_100000749530_100000747449 [1,1,0,0,0,0|2,0,0]=4 2019 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [1,1,0,0,0,0|2,0,0]=4 2020 B11R0.154 CCSCCC(=O)CC(=O)NC 1458a_100000230768_100000183359 [1,1,0,0,0,0|2,0,0]=4 2021 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000211351_100000757381 [1,1,0,0,0,0|2,0,0]=4 2022 B11R0.154 CCSCCC(=O)CC(=O)OC 1458a_100000230768_100000747449 [1,1,0,0,0,0|2,0,0]=4 2023 B11R0.154 CNC(=O)CC(=O)CCCCO 1458a_100000695505_100000183359 [1,1,0,0,0,0|2,0,0]=4 2024 B11R0.154 CNC(=O)CC(=O)CCCOC 1458a_100000741012_100000183359 [1,1,0,0,0,0|2,0,0]=4 2025 B11R0.154 CNC(=O)CC(=O)CCCSC 1458a_100000173376_100000183359 [1,1,0,0,0,0|2,0,0]=4 2026 B11R0.154 COC(=O)CC(=O)CCCCF 1458a_100000211351_100000729493 [1,1,0,0,0,0|2,0,0]=4 2027 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000211351_100000210776 [1,1,0,0,0,0|2,0,0]=4 2028 B11R0.154 COC(=O)CC(=O)CCCCO 1458a_100000695505_100000747449 [1,1,0,0,0,0|2,0,0]=4 2029 B11R0.154 COC(=O)CC(=O)CCCSC 1458a_100000173376_100000747449 [1,1,0,0,0,0|2,0,0]=4 2030 B11R0.154 COC(=O)CC(=O)NCCCF 240690a_100015189416_100000211351 [1,1,0,0,0,0|2,0,0]=4 2031 B11R0.154 COC(=O)CC(=O)NCCCO 240690a_100000182051_100000211351 [1,1,0,0,0,0|2,0,0]=4 2032 B11R0.154 COC(=O)CC(=O)NCCSC 240690a_100020590264_100000211351 [1,1,0,0,0,0|2,0,0]=4 2033 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000211351_100000740836 [1,1,0,0,0,0|2,0,0]=4 2034 B11R0.154 COCCCC(=O)CC(=O)OC 1458a_100000741012_100000747449 [1,1,0,0,0,0|2,0,0]=4 2035 B11R0.154 COCCNC(=O)CC(=O)CO 1458a_100000210174_100000183275 [1,1,0,0,0,0|2,0,0]=4 2036 B11R0.154 COCCNC(=O)CC(=O)OC 240690a_100000209980_100000211351 [1,1,0,0,0,0|2,0,0]=4 2037 B11R0.154 COCCOC(=O)CC(=O)CO 1458a_100000210174_200000040189 [1,1,0,0,0,0|1,0,0]=3 2038 B11R0.165 CCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210326 [1,1,0,0,0,0|2,0,0]=4 2039 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 11a_100000102301_100000744497 [1,1,0,0,0,0|2,0,0]=4 2040 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 240690a_100000102301_100000744497 [1,1,0,0,0,0|2,0,0]=4 2041 B11R0.165 CCCCNC(=O)CS(=O)(=O)C 527a_100000102301_100000744497 [1,1,0,0,0,0|2,0,0]=4 2042 B11R0.324 CCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210211 [1,1,0,0,0,0|1,0,1]=4 2043 B11R0.29 C=C(C)CCOC[C@H](N)C(C)C 34a_100011830312_100000730704 [1,1,0,0,0,0|1,0,1]=4 2044 B11R0.29 CC(=O)C(=O)COCCC(C)C 34a_100000210254_100011261029 [1,1,0,0,0,0|0,0,2]=4 2045 B11R0.29 CC(=O)C(C)COCCC(C)C 34a_100000032740_100000210312 [1,1,0,0,0,0|0,0,1]=3 2046 B11R0.29 CC(=O)C(C)COCCC(C)C 7a_100000032740_100000210626 [1,1,0,0,0,0|0,0,1]=3 2047 B11R0.29 CC(=O)C(C)COCCC(C)O 34a_100000032740_100012276601 [1,1,0,0,0,0|1,0,1]=4 2048 B11R0.29 CC(=O)C(C)COCCC(C)O 7a_100000032740_100012276601 [1,1,0,0,0,0|1,0,1]=4 2049 B11R0.29 CC(=O)C(C)COCCN(C)C 7a_100000032740_100000755713 [1,1,0,0,0,0|1,0,1]=4 2050 B11R0.29 CC(=O)C(C)COCOC(C)C 34a_100000032740_100000709892 [1,1,0,0,0,0|1,0,1]=4 2051 B11R0.29 CC(=O)C(C)NCCCC(C)C 2230a_200000737386_100009814033 [1,1,0,0,0,0|2,0,0]=4 2052 B11R0.29 CC(=O)C(C)OCCCC(C)C 34a_100000212229_100011214892 [1,1,0,0,0,0|2,0,0]=4 2053 B11R0.29 CC(=O)C(C)OCCCC(C)C 7a_100000210774_100000179758 [1,1,0,0,0,0|2,0,0]=4 2054 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100009814033_100011214892 [1,1,0,0,0,0|2,0,0]=4 2055 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100011214892_100009814033 [1,1,0,0,0,0|2,0,0]=4 2056 B11R0.29 CC(=O)CCOCC(=O)C(C)C 34a_100000759926_100000753385 [1,1,0,0,0,0|0,0,2]=4 2057 B11R0.29 CC(=O)CCOCC(=O)C(C)C 7a_100000759926_100000753385 [1,1,0,0,0,0|0,0,2]=4 2058 B11R0.29 CC(=O)OCOC[C@H](N)C(C)C 34a_100011830312_100009813279 [1,1,0,0,0,0|1,0,1]=4 2059 B11R0.29 CC(C)CCOC[C@H](N)C(=O)N 34a_100000729942_100000210312 [1,1,0,0,0,0|1,0,1]=4 2060 B11R0.29 CC(C)[C@@H](N)COCCC(=O)N 34a_100011830312_100000731001 [1,1,0,0,0,0|1,0,1]=4 2061 B11R0.31 C=C(C)CCOCCC(C)(C)C 34a_100000764851_100000755188 [1,1,0,0,0,0|1,0,1]=4 2062 B11R0.31 C=C(C)CCOCCC(C)(C)C 7a_100000765024_100000730704 [1,1,0,0,0,0|1,0,1]=4 2063 B11R0.31 C=C(C)CCOCCC(C)(C)O 34a_100000764851_100000702414 [1,1,0,0,0,0|1,0,1]=4 2064 B11R0.31 CC(=O)CCCCCC(C)(C)C 1458a_100012017116_200000210301 [1,1,0,0,0,0|1,0,1]=4 2065 B11R0.31 CC(=O)CCOCCC(C)(C)C 34a_100000759926_100000755188 [1,1,0,0,0,0|0,0,1]=3 2066 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000759926_100000755188 [1,1,0,0,0,0|0,0,1]=3 2067 B11R0.31 CC(=O)CCOCCC(C)(C)C 7a_100000765024_100000053229 [1,1,0,0,0,0|0,0,1]=3 2068 B11R0.31 CC(=O)CCOCCC(C)(C)O 34a_100000759926_100000702414 [1,1,0,0,0,0|0,0,1]=3 2069 B11R0.31 CC(=O)CCOCCC(C)(C)O 7a_100000759926_100000702414 [1,1,0,0,0,0|0,0,1]=3 2070 B11R0.31 CC(=O)CCOCC[N+](C)(C)C 34a_100000759926_100000085578 [1,1,0,0,0,0|1,0,1]=4 2071 B11R0.31 CC(=O)CCOCC[N+](C)(C)C 7a_100000759926_100000085578 [1,1,0,0,0,0|1,0,1]=4 2072 B11R0.31 CC(=O)CCOCC[N+](C)(C)C 7a_200020618287_100000053229 [1,1,0,0,0,0|1,0,1]=4 2073 B11R0.31 CC(=O)CCOCC[Si](C)(C)C 34a_100000759926_200000733723 [1,1,0,0,0,0|0,1,1]=4 2074 B11R0.31 CC(=O)CCOCC[Si](C)(C)C 7a_100000039746_100000053229 [1,1,0,0,0,0|0,1,1]=4 2075 B11R0.31 CC(=O)CCOCC[Si](C)(C)C 7a_100000759926_200000733723 [1,1,0,0,0,0|0,1,1]=4 2076 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000053229_100000755188 [1,1,0,0,0,0|0,1,1]=4 2077 B11R0.31 CC(=O)CCSCCC(C)(C)C 62a_100000755188_100000053229 [1,1,0,0,0,0|0,1,1]=4 2078 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000053229_100000702414 [1,1,0,0,0,0|0,1,1]=4 2079 B11R0.31 CC(=O)CCSCCC(C)(C)O 62a_100000702414_100000053229 [1,1,0,0,0,0|0,1,1]=4 2080 B11R0.31 CC(=O)COCCCC(C)(C)O 34a_100000211253_100009888830 [1,1,0,0,0,0|2,0,0]=4 2081 B11R0.31 CC(C)(C)CCCCCC(=O)[13CH3] 1458a_100012017116_200025704644 [1,1,0,0,0,0|1,0,1]=4 2082 B11R0.31 CC(C)(C)CCOCCC(=O)N 34a_100000757172_100000755188 [1,1,0,0,0,0|1,0,1]=4 2083 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000757172_100000755188 [1,1,0,0,0,0|1,0,1]=4 2084 B11R0.31 CC(C)(C)CCOCCC(=O)N 7a_100000765024_100000744528 [1,1,0,0,0,0|1,0,1]=4 2085 B11R0.31 CC(C)(O)CCOCCC(=O)N 34a_100000757172_100000702414 [1,1,0,0,0,0|1,0,1]=4 2086 B11R0.31 CC(C)(O)CCOCCC(=O)N 7a_100000757172_100000702414 [1,1,0,0,0,0|1,0,1]=4 2087 B11R0.31 CC(C)CCOCCS(=O)(=O)C 34a_100000210254_100000731031 [1,1,0,0,0,0|1,0,1]=4 2088 B11R0.31 CC(C)CCOCCS(=O)(=O)C 34a_100000211924_100000210312 [1,1,0,0,0,0|1,0,1]=4 2089 B11R0.31 CC(C)CCOCCS(=O)(=O)C 7a_100000210254_100000230027 [1,1,0,0,0,0|1,0,1]=4 2090 B11R0.31 CC(C)CCOCCS(=O)(=O)C 7a_100000211924_100000210626 [1,1,0,0,0,0|1,0,1]=4 2091 B11R0.85 CC(=O)CCN(C)CCC(C)C 269982a_100000742789_100000053229 [1,1,0,0,0,0|1,0,1]=4 2092 B11R0.85 CC(=O)CNC(=O)CCC(C)C 1458a_100000205584_200000210301 [1,1,0,0,0,0|2,0,0]=4 2093 B11R0.85 CC(=O)COC(C)CCC(C)C 34a_100000211253_100011261404 [1,1,0,0,0,0|2,0,0]=4 2094 B11R0.85 CC(C)CCC(=O)NCC(=O)[13CH3] 1458a_100000205584_200025704644 [1,1,0,0,0,0|2,0,0]=4 2095 B11R0.111 C=C(C)CCOCCC(C)CC 7a_100011215188_100000730704 [1,1,0,0,0,0|1,0,1]=4 2096 B11R0.111 C=C(C)CCOCCC(C)OC 7a_100000764861_100000730704 [1,1,0,0,0,0|1,0,1]=4 2097 B11R0.111 CC(C)CCCCCC(=O)CF 1458a_100000766313_100015361967 [1,1,0,0,0,0|1,0,1]=4 2098 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [1,1,0,0,0,0|1,0,1]=4 2099 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000210414_100000210682 [1,1,0,0,0,0|1,0,1]=4 2100 B11R0.111 CCC(=O)CCCCCC(C)C 1458a_100000766313_100000210202 [1,1,0,0,0,0|1,0,1]=4 2101 B11R0.111 CCC(=O)COCCCC(C)C 34a_100000725409_100011214892 [1,1,0,0,0,0|2,0,0]=4 2102 B11R0.111 CCC(=O)COCCCC(C)C 7a_100000210774_100000747405 [1,1,0,0,0,0|2,0,0]=4 2103 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100000747405_100011214892 [1,1,0,0,0,0|2,0,0]=4 2104 B11R0.111 CCC(=O)CSCCCC(C)C 62a_100011214892_100000747405 [1,1,0,0,0,0|2,0,0]=4 2105 B11R0.111 CCC(C)CCOCCC(=O)C 7a_100011215188_100000053229 [1,1,0,0,0,0|0,0,1]=3 2106 B11R0.111 CCC(C)CCOCCC(=O)N 7a_100011215188_100000744528 [1,1,0,0,0,0|1,0,1]=4 2107 B11R0.111 CNC(=O)CCCCCC(C)C 11a_106832991635_100000766313 [1,1,0,0,0,0|1,0,1]=4 2108 B11R0.111 CNC(=O)CCCCCC(C)C 1626a_100102657272_100000766313 [1,1,0,0,0,0|1,0,1]=4 2109 B11R0.111 CNC(=O)CCCCCC(C)C 240690a_100102657272_100000766313 [1,1,0,0,0,0|1,0,1]=4 2110 B11R0.111 CNC(=O)CCCCCC(C)C 527a_100102657272_100000766313 [1,1,0,0,0,0|1,0,1]=4 2111 B11R0.111 CNC(=O)CCNCCC(C)C 2230a_100000738227_100000210312 [1,1,0,0,0,0|1,0,1]=4 2112 B11R0.111 CNC(=O)CCNCCC(C)C 269862a_100000738227_100000185833 [1,1,0,0,0,0|1,0,1]=4 2113 B11R0.111 CNC(=O)CCNCCC(C)C 34a_100000738227_100000210312 [1,1,0,0,0,0|1,0,1]=4 2114 B11R0.111 CNC(=O)CCOCCC(C)Br 34a_100009893172_100012179268 [1,1,0,0,0,0|1,0,1]=4 2115 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000210254_100012179268 [1,1,0,0,0,0|0,0,1]=3 2116 B11R0.111 CNC(=O)CCOCCC(C)C 34a_100000754576_100000210312 [1,1,0,0,0,0|0,0,1]=3 2117 B11R0.111 CNC(=O)CCOCCC(C)C 7a_100000210254_100000737683 [1,1,0,0,0,0|0,0,1]=3 2118 B11R0.111 CNC(=O)CCOCCC(C)O 34a_100000754576_100012276601 [1,1,0,0,0,0|1,0,1]=4 2119 B11R0.111 CNC(=O)CCOCC[C@@H](C)N 34a_100000706166_100012179268 [1,1,0,0,0,0|1,0,1]=4 2120 B11R0.111 CNC(=O)CCOCOC(C)C 34a_100000754576_100000709892 [1,1,0,0,0,0|1,0,1]=4 2121 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000210312_100000737683 [1,1,0,0,0,0|0,1,1]=4 2122 B11R0.111 CNC(=O)CCSCCC(C)C 62a_100000737683_100000210312 [1,1,0,0,0,0|0,1,1]=4 2123 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_100000693194_100011214892 [1,1,0,0,0,0|2,0,0]=4 2124 B11R0.111 CNC(=O)CNCCCC(C)C 2230a_200000737386_100000183359 [1,1,0,0,0,0|2,0,0]=4 2125 B11R0.111 CNC(=O)CNCCCC(C)C 34a_200000737386_100000183359 [1,1,0,0,0,0|2,0,0]=4 2126 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000210774_100000183359 [1,1,0,0,0,0|2,0,0]=4 2127 B11R0.111 CNC(=O)COCCCC(C)C 34a_100000750040_100011214892 [1,1,0,0,0,0|2,0,0]=4 2128 B11R0.111 CNC(=O)COCCCC(C)C 7a_100000210774_100000183359 [1,1,0,0,0,0|2,0,0]=4 2129 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100000183359_100011214892 [1,1,0,0,0,0|2,0,0]=4 2130 B11R0.111 CNC(=O)CSCCCC(C)C 62a_100011214892_100000183359 [1,1,0,0,0,0|2,0,0]=4 2131 B11R0.111 COC(=O)CCOCCC(C)Br 34a_100009893172_100000742370 [1,1,0,0,0,0|1,0,1]=4 2132 B11R0.111 COC(=O)CCOCCC(C)C 34a_100000210254_100000742370 [1,1,0,0,0,0|0,0,1]=3 2133 B11R0.111 COC(=O)CCOCCC(C)C 7a_100000210254_100000204255 [1,1,0,0,0,0|0,0,1]=3 2134 B11R0.111 COC(=O)CCOCC[C@@H](C)N 34a_100000706166_100000742370 [1,1,0,0,0,0|1,0,1]=4 2135 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000204255_100000210312 [1,1,0,0,0,0|0,1,1]=4 2136 B11R0.111 COC(=O)CCSCCC(C)C 62a_100000210312_100000204255 [1,1,0,0,0,0|0,1,1]=4 2137 B11R0.111 COC(=O)CNCCCC(C)C 2230a_200000737386_100000747449 [1,1,0,0,0,0|2,0,0]=4 2138 B11R0.111 COC(=O)CNCCCC(C)C 34a_200000737386_100000747449 [1,1,0,0,0,0|2,0,0]=4 2139 B11R0.111 COC(=O)COCCCC(C)C 34a_100000210774_100000747449 [1,1,0,0,0,0|2,0,0]=4 2140 B11R0.111 COC(=O)COCCCC(C)C 7a_100000210774_100000747449 [1,1,0,0,0,0|2,0,0]=4 2141 B11R0.111 COC(=O)CSCCCC(C)C 62a_100000747449_100011214892 [1,1,0,0,0,0|2,0,0]=4 2142 B11R0.111 COC(=O)CSCCCC(C)C 62a_100011214892_100000747449 [1,1,0,0,0,0|2,0,0]=4 2143 B11R0.111 COC(C)CCOCCC(=O)C 7a_100000764861_100000053229 [1,1,0,0,0,0|0,0,1]=3 2144 B11R0.111 COC(C)CCOCCC(=O)N 7a_100000764861_100000744528 [1,1,0,0,0,0|1,0,1]=4 2145 B11R0.33 C=C(C)CC(=O)CC(C)N(C)C 1458a_100011311895_100000748629 [0,1,0,0,1,0|2,0,0]=4 2146 B11R0.33 C=C(C)CC(=O)CN(C)C(C)C 1458a_100000743827_100000748629 [0,1,0,0,1,0|2,0,0]=4 2147 B11R0.33 CC(=O)NC(=O)CC(=O)C(C)C 1458a_100000210198_100000183797 [0,1,0,0,1,0|1,0,1]=4 2148 B11R0.33 CC(=O)NC(=O)CN(C)C(C)C 269982a_200000211004_100000183797 [0,1,0,0,1,0|2,0,0]=4 2149 B11R0.33 CC(C)C(=O)CC(=O)CC(=O)N 1458a_100134613110_100000753385 [0,1,0,0,1,0|1,0,1]=4 2150 B11R0.33 CC(C)C(C)NC(=O)CC(=O)N 240690a_100000211541_100134613110 [0,1,0,0,1,0|2,0,0]=4 2151 B11R0.33 CC(C)C(C)NC(=O)CC(=O)N 527a_100000211541_100134613110 [0,1,0,0,1,0|2,0,0]=4 2152 B11R0.33 CC(C)N(C)CC(=O)CC(=O)N 1458a_100000743827_100000187820 [0,1,0,0,1,0|2,0,0]=4 2153 B11R0.33 CC(C)N(C)CC(=O)CC(=O)[O-] 1458a_100000743827_100020667443 [0,1,0,0,1,0|2,0,0]=4 2154 B11R0.33 CC(CC(=O)CC(=O)N)N(C)C 1458a_100011311895_100000187820 [0,1,0,0,1,0|2,0,0]=4 2155 B11R0.33 CC(CC(=O)CC(=O)[O-])N(C)C 1458a_100011311895_100020667443 [0,1,0,0,1,0|2,0,0]=4 2156 B11R0.34 CC(C)CCC(=O)CC(C)(C)C 1458a_100000211214_100000210312 [0,1,0,0,1,0|1,0,1]=4 2157 B11R0.34 CC(C)CCC(=O)CC(C)(C)O 1458a_100000693243_100000210312 [0,1,0,0,1,0|0,0,2]=4 2158 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210312 [0,1,0,0,1,0|1,0,0]=3 2159 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)N 1458a_100000181311_100000741382 [0,1,0,0,1,0|2,0,0]=4 2160 B11R0.34 CC(C)CCC(=O)CS(=O)(=O)[O-] 1458a_100000181311_100009817235 [0,1,0,0,1,0|2,0,0]=4 2161 B11R0.34 CC(C)CCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210312 [0,1,0,0,1,0|2,0,0]=4 2162 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100000181311_100000233785 [0,1,0,0,1,0|1,1,0]=4 2163 B11R0.34 CC(C)CCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210312 [0,1,0,0,1,0|1,1,0]=4 2164 B11R0.34 CC(C)CCC(=O)NS(=O)(=O)C 2740a_100000171171_100000181311 [0,1,0,0,1,0|2,0,0]=4 2165 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 11a_100000210953_100000744497 [0,1,0,0,1,0|2,0,0]=4 2166 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 240690a_100000210953_100000744497 [0,1,0,0,1,0|2,0,0]=4 2167 B11R0.34 CC(C)CNC(=O)CS(=O)(=O)C 527a_100000210953_100000744497 [0,1,0,0,1,0|2,0,0]=4 2168 B11R0.34 CC(O)CCC(=O)CS(=O)(=O)C 1458a_100000744497_100012276601 [0,1,0,0,1,0|2,0,0]=4 2169 B11R0.93 C#CC(=O)CC(=O)NCC(C)C 1458a_100000211873_100000183291 [0,1,0,0,1,0|1,0,1]=4 2170 B11R0.93 C=C(C#N)CC(=O)CCC(C)C 1458a_100000181311_100000694840 [0,1,0,0,1,0|1,0,1]=4 2171 B11R0.93 C=C(C)CCC(=O)CC(=O)CC 1458a_200000688413_100000747405 [0,1,0,0,1,0|0,0,2]=4 2172 B11R0.93 C=C(C)CCC(=O)CC(=O)NC 1458a_200000688413_100000183359 [0,1,0,0,1,0|0,0,2]=4 2173 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_100000211351_100000730704 [0,1,0,0,1,0|0,0,2]=4 2174 B11R0.93 C=C(C)CCC(=O)CC(=O)OC 1458a_200000688413_100000747449 [0,1,0,0,1,0|0,0,2]=4 2175 B11R0.93 C=CC(=O)CC(=O)NCC(C)C 1458a_100000185746_100000183291 [0,1,0,0,1,0|1,0,1]=4 2176 B11R0.93 C=CC(C)CC(=O)CCC(C)C 1458a_100011934298_100000210312 [0,1,0,0,1,0|1,0,1]=4 2177 B11R0.93 CC(C)CCC(=O)C[C@@H](C)CO 1458a_100000181311_100000059175 [0,1,0,0,1,0|0,0,2]=4 2178 B11R0.93 CC(C)CNC(=O)CC(=O)CO 1458a_100000210174_100000183291 [0,1,0,0,1,0|1,0,0]=3 2179 B11R0.93 CCC(=CC(=O)CCC(C)C)C 1458a_100020758463_100000210312 [0,1,0,0,1,0|1,0,1]=4 2180 B11R0.93 CCC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747405 [0,1,0,0,1,0|0,0,2]=4 2181 B11R0.93 CCC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747405 [0,1,0,0,1,0|0,0,2]=4 2182 B11R0.93 CCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747405 [0,1,0,0,1,0|0,0,0]=2 2183 B11R0.93 CCC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747405 [0,1,0,0,1,0|1,0,0]=3 2184 B11R0.93 CCC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747405 [0,1,0,0,1,0|1,0,0]=3 2185 B11R0.93 CCC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747405 [0,1,0,0,1,0|1,0,0]=3 2186 B11R0.93 CCC(=O)CC(=O)NCC(C)C 1458a_100000210414_100000183291 [0,1,0,0,1,0|1,0,0]=3 2187 B11R0.93 CCC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747405 [0,1,0,0,1,0|2,0,0]=4 2188 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000181311_100000748023 [0,1,0,0,1,0|1,0,1]=4 2189 B11R0.93 CCC(C)CC(=O)CCC(C)C 1458a_100000708755_100000210312 [0,1,0,0,1,0|1,0,1]=4 2190 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100000181311_100011218378 [0,1,0,0,1,0|0,0,2]=4 2191 B11R0.93 CCC(O)CC(=O)CCC(C)C 1458a_100011667805_100000210312 [0,1,0,0,1,0|0,0,2]=4 2192 B11R0.93 CCN(C)CC(=O)CCC(C)C 1458a_100116209913_100000210312 [0,1,0,0,1,0|2,0,0]=4 2193 B11R0.93 CC[C@H](C)CC(=O)CCC(C)C 1458a_100000181311_100009816398 [0,1,0,0,1,0|1,0,1]=4 2194 B11R0.93 CNC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000183359 [0,1,0,0,1,0|0,0,2]=4 2195 B11R0.93 CNC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000183359 [0,1,0,0,1,0|0,0,2]=4 2196 B11R0.93 CNC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000183359 [0,1,0,0,1,0|0,0,0]=2 2197 B11R0.93 CNC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000183359 [0,1,0,0,1,0|1,0,0]=3 2198 B11R0.93 CNC(=O)CC(=O)COC(C)C 1458a_100000745533_100000183359 [0,1,0,0,1,0|1,0,0]=3 2199 B11R0.93 CNC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000183359 [0,1,0,0,1,0|1,0,0]=3 2200 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000189611_100000210312 [0,1,0,0,1,0|2,0,0]=4 2201 B11R0.93 CNC(=O)CN(C)CCC(C)C 2230a_100000742789_100000183359 [0,1,0,0,1,0|2,0,0]=4 2202 B11R0.93 CNC(=O)CN(C)CCC(C)C 269982a_100000742789_100000183359 [0,1,0,0,1,0|2,0,0]=4 2203 B11R0.93 COC(=O)CC(=O)C=CC(C)C 1458a_100016268746_100000747449 [0,1,0,0,1,0|0,0,2]=4 2204 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100000211351_100000761012 [0,1,0,0,1,0|0,0,2]=4 2205 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747449 [0,1,0,0,1,0|0,0,2]=4 2206 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747449 [0,1,0,0,1,0|0,0,0]=2 2207 B11R0.93 COC(=O)CC(=O)CCC(C)C 1458a_100000211351_100000210312 [0,1,0,0,1,0|0,0,0]=2 2208 B11R0.93 COC(=O)CC(=O)CCC(C)O 1458a_100000211351_100012276601 [0,1,0,0,1,0|1,0,0]=3 2209 B11R0.93 COC(=O)CC(=O)CC[S+](C)C 1458a_100009452791_100000747449 [0,1,0,0,1,0|1,0,0]=3 2210 B11R0.93 COC(=O)CC(=O)COC(C)C 1458a_100000745533_100000747449 [0,1,0,0,1,0|1,0,0]=3 2211 B11R0.93 COC(=O)CC(=O)CSC(C)C 1458a_100000241585_100000747449 [0,1,0,0,1,0|1,0,0]=3 2212 B11R0.93 COC(=O)CC(=O)CSC(C)C 62a_100000210206_100000210525 [0,1,0,0,1,0|1,0,0]=3 2213 B11R0.93 COC(=O)CC(=O)CSC(C)C 62a_100000210525_100000210206 [0,1,0,0,1,0|1,0,0]=3 2214 B11R0.93 COC(=O)CC(=O)NCC(C)C 240690a_100000210953_100000211351 [0,1,0,0,1,0|1,0,0]=3 2215 B11R0.93 COC(=O)CC(=O)NCC(C)O 240690a_100000210904_100000211351 [0,1,0,0,1,0|2,0,0]=4 2216 B11R0.93 COC(=O)CC(=O)NNC(C)C 22a_100000741168_100000211351 [0,1,0,0,1,0|2,0,0]=4 2217 B11R0.93 COC(=O)CC(C)OCC(C)C 34a_100000210257_100009817358 [0,1,0,0,1,0|1,0,1]=4 2218 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000198492_100000210312 [0,1,0,0,1,0|2,0,0]=4 2219 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747449 [0,1,0,0,1,0|2,0,0]=4 2220 B11R0.93 COC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747449 [0,1,0,0,1,0|2,0,0]=4 2221 B11R0.93 COC(=O)NC(=O)CSC(C)C 62a_100000210206_100000010850 [0,1,0,0,1,0|2,0,0]=4 2222 B11R0.149 C=C(C)CC(=O)C(C)CN(C)C 1458a_200015186601_100000748629 [0,1,0,0,1,0|2,0,0]=4 2223 B11R0.149 C=C(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000748629 [0,1,0,0,1,0|1,0,0]=3 2224 B11R0.149 C=C(F)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100009893438 [0,1,0,0,1,0|1,0,1]=4 2225 B11R0.149 CC(=CC(=O)C(C)CC(C)C)C 1458a_100000211388_100000731052 [0,1,0,0,1,0|1,0,1]=4 2226 B11R0.149 CC(=CC(=O)C(C)CC(C)C)Cl 1458a_200042562850_100000731052 [0,1,0,0,1,0|1,0,1]=4 2227 B11R0.149 CC(=CC(=O)C(C)CC(C)C)I 1458a_100025716642_100000731052 [0,1,0,0,1,0|1,0,1]=4 2228 B11R0.149 CC(C)CC(=O)C(C)CC(C)C 1458a_100000210554_100000731052 [0,1,0,0,1,0|1,0,1]=4 2229 B11R0.149 CC(C)CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210624 [0,1,0,0,1,0|1,0,1]=4 2230 B11R0.149 CC(C)CC(C)C(=O)CC(=O)N 1458a_100134613110_100000731052 [0,1,0,0,1,0|1,0,0]=3 2231 B11R0.149 CC(C)CC(C)C(=O)CN(C)C 1458a_100000750896_100000731052 [0,1,0,0,1,0|2,0,0]=4 2232 B11R0.149 CC(C)CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000731052 [0,1,0,0,1,0|0,0,2]=4 2233 B11R0.149 CC(C)CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000731052 [0,1,0,0,1,0|2,0,0]=4 2234 B11R0.149 CC(C)CN(C)C(=O)CC(=O)N 240690a_100000747067_100134613110 [0,1,0,0,1,0|2,0,0]=4 2235 B11R0.149 CC(C)CN(C)C(=O)CC(=O)N 527a_100000747067_100134613110 [0,1,0,0,1,0|2,0,0]=4 2236 B11R0.149 CC(C)C[C@H](O)C(=O)CC(=O)N 1458a_100012027011_100000187820 [0,1,0,0,1,0|1,0,0]=3 2237 B11R0.149 CC(C)C[C@H](O)C(=O)CC(=O)[O-] 1458a_100012027011_100020667443 [0,1,0,0,1,0|1,0,0]=3 2238 B11R0.149 CC(C)C[C@H](O)C(=O)CC(C)O 1458a_100012027011_100011218427 [0,1,0,0,1,0|0,0,2]=4 2239 B11R0.149 CC(C)C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_100012027011_100000761209 [0,1,0,0,1,0|2,0,0]=4 2240 B11R0.149 CC(CN(C)C)C(=O)CC(=O)N 1458a_200015186601_100000187820 [0,1,0,0,1,0|2,0,0]=4 2241 B11R0.149 CC(CN(C)C)C(=O)CC(=O)[O-] 1458a_200015186601_100020667443 [0,1,0,0,1,0|2,0,0]=4 2242 B11R0.173 C=C(C)CCC(=O)C(C)C(=O)C 1458a_200000688413_100000179758 [0,1,0,0,1,0|0,0,2]=4 2243 B11R0.173 CC(=O)C(C)C(=O)C=CC(C)C 1458a_100016268746_100000179758 [0,1,0,0,1,0|0,0,2]=4 2244 B11R0.173 CC(=O)C(C)C(=O)CC=C(C)C 1458a_100011220947_100000179758 [0,1,0,0,1,0|0,0,2]=4 2245 B11R0.173 CC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000179758 [0,1,0,0,1,0|0,0,0]=2 2246 B11R0.173 CC(=O)C(C)C(=O)CC[S+](C)C 1458a_100009452791_100000179758 [0,1,0,0,1,0|1,0,0]=3 2247 B11R0.173 CC(=O)C(C)C(=O)COC(C)C 1458a_100000745533_100000179758 [0,1,0,0,1,0|1,0,0]=3 2248 B11R0.173 CC(=O)C(C)C(=O)CSC(C)C 1458a_100000241585_100000179758 [0,1,0,0,1,0|1,0,0]=3 2249 B11R0.173 CC(=O)C(C)C(=O)NCC(C)C 1458a_100000070787_100000230289 [0,1,0,0,1,0|1,0,0]=3 2250 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 2230a_100000742789_100009814033 [0,1,0,0,1,0|2,0,0]=4 2251 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 269982a_100000742789_100009814033 [0,1,0,0,1,0|2,0,0]=4 2252 B11R0.173 CC(C(=O)N)C(=O)CC[S+](C)C 1458a_100009452791_100000702099 [0,1,0,0,1,0|2,0,0]=4 2253 B11R0.173 CC(C)CCC(=O)C(C)C(=O)N 1458a_100000181311_100000702099 [0,1,0,0,1,0|1,0,0]=3 2254 B11R0.173 CC(C)CCC(=O)C(C)C(C)C 1458a_100000755409_100000210312 [0,1,0,0,1,0|1,0,1]=4 2255 B11R0.173 CC(C)CCC(=O)C(F)C(=O)N 1458a_100000181311_100009813875 [0,1,0,0,1,0|1,0,0]=3 2256 B11R0.173 CC(C)CCC(=O)C(F)C(=O)[O-] 1458a_100000181311_100020610796 [0,1,0,0,1,0|1,0,0]=3 2257 B11R0.173 CC(C)CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210312 [0,1,0,0,1,0|2,0,0]=4 2258 B11R0.173 CC(C)CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210312 [0,1,0,0,1,0|1,0,1]=4 2259 B11R0.173 CC(C)OCC(=O)C(C)C(=O)N 1458a_100000745533_100000702099 [0,1,0,0,1,0|2,0,0]=4 2260 B11R0.173 CC(C)OCC(=O)C(F)C(=O)N 1458a_100000745533_100009813875 [0,1,0,0,1,0|2,0,0]=4 2261 B11R0.173 CC(C)OCC(=O)C(F)C(=O)[O-] 1458a_100000745533_100020610796 [0,1,0,0,1,0|2,0,0]=4 2262 B11R0.173 CC(C)SCC(=O)C(C)C(=O)N 1458a_100000241585_100000702099 [0,1,0,0,1,0|2,0,0]=4 2263 B11R0.173 CC(C)SCC(=O)C(F)C(=O)N 1458a_100000241585_100009813875 [0,1,0,0,1,0|2,0,0]=4 2264 B11R0.173 CC(C)SCC(=O)C(F)C(=O)[O-] 1458a_100000241585_100020610796 [0,1,0,0,1,0|2,0,0]=4 2265 B11R0.173 C[S+](C)CCC(=O)C(F)C(=O)N 1458a_100009452791_100009813875 [0,1,0,0,1,0|2,0,0]=4 2266 B11R0.173 C[S+](C)CCC(=O)C(F)C(=O)[O-] 1458a_100009452791_100020610796 [0,1,0,0,1,0|2,0,0]=4 2267 B11R0.232 CC(=O)CC(C)(C)OCC(C)C 7a_100000210262_100000210760 [0,1,0,0,1,0|1,0,1]=4 2268 B11R0.337 C=C(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000748629 [0,1,0,0,1,0|1,0,0]=3 2269 B11R0.337 C=C(C)CC(=O)CCC(C)(F)F 1458a_100000030992_100000748629 [0,1,0,0,1,0|2,0,0]=4 2270 B11R0.337 C=C(C)CC(=O)CC[Si](C)(C)C 1458a_100011215282_100000748629 [0,1,0,0,1,0|1,1,0]=4 2271 B11R0.337 C=C(C)CC(=O)COC(C)(C)C 1458a_100000686494_100000748629 [0,1,0,0,1,0|2,0,0]=4 2272 B11R0.337 C=C(F)CC(=O)CCC(C)(C)C 1458a_100000757465_100009893438 [0,1,0,0,1,0|1,0,1]=4 2273 B11R0.337 CC(=CC(=O)CCC(C)(C)C)C 1458a_100000211388_100000755188 [0,1,0,0,1,0|1,0,1]=4 2274 B11R0.337 CC(=CC(=O)CCC(C)(C)C)Cl 1458a_200042562850_100000755188 [0,1,0,0,1,0|1,0,1]=4 2275 B11R0.337 CC(=CC(=O)CCC(C)(C)C)I 1458a_100025716642_100000755188 [0,1,0,0,1,0|1,0,1]=4 2276 B11R0.337 CC(=O)CC(=O)CCS(=O)(=O)C 1458a_100000070787_100103131435 [0,1,0,0,1,0|2,0,0]=4 2277 B11R0.337 CC(=O)CC(=O)OCC(C)(C)C 1458a_100000070787_200010402935 [0,1,0,0,1,0|0,0,0]=2 2278 B11R0.337 CC(=O)NC(=O)COC(C)(C)C 7a_100015890283_100000183797 [0,1,0,0,1,0|2,0,0]=4 2279 B11R0.337 CC(=O)NC(=O)CSC(C)(C)C 62a_100000211941_100000183797 [0,1,0,0,1,0|2,0,0]=4 2280 B11R0.337 CC(C)(C)CCC(=O)CC(=O)N 1458a_100000757465_100000187820 [0,1,0,0,1,0|1,0,0]=3 2281 B11R0.337 CC(C)(C)CCC(=O)CC(=O)N 1458a_100134613110_100000755188 [0,1,0,0,1,0|1,0,0]=3 2282 B11R0.337 CC(C)(C)CCC(=O)CC(=O)[O-] 1458a_100000757465_100020667443 [0,1,0,0,1,0|1,0,0]=3 2283 B11R0.337 CC(C)(C)CCC(=O)C[N+](=O)[O-] 1458a_100000757465_100000761209 [0,1,0,0,1,0|2,0,0]=4 2284 B11R0.337 CC(C)(C)CNC(=O)CC(=O)N 240690a_100000743828_100134613110 [0,1,0,0,1,0|2,0,0]=4 2285 B11R0.337 CC(C)(C)CNC(=O)CC(=O)N 527a_100000743828_100134613110 [0,1,0,0,1,0|2,0,0]=4 2286 B11R0.337 CC(C)(C)OCC(=O)CC(=O)N 1458a_100000686494_100000187820 [0,1,0,0,1,0|2,0,0]=4 2287 B11R0.337 CC(C)(C)OCC(=O)CC(=O)[O-] 1458a_100000686494_100020667443 [0,1,0,0,1,0|2,0,0]=4 2288 B11R0.337 CC(C)(F)CNC(=O)CC(=O)N 240690a_100020643315_100134613110 [0,1,0,0,1,0|2,0,0]=4 2289 B11R0.337 CC(C)(F)CNC(=O)CC(=O)N 527a_100020643315_100134613110 [0,1,0,0,1,0|2,0,0]=4 2290 B11R0.337 CC(C)(O)CNC(=O)CC(=O)N 240690a_100000751335_100134613110 [0,1,0,0,1,0|2,0,0]=4 2291 B11R0.337 CC(C)(O)CNC(=O)CC(=O)N 527a_100000751335_100134613110 [0,1,0,0,1,0|2,0,0]=4 2292 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000210554_100000755188 [0,1,0,0,1,0|1,0,1]=4 2293 B11R0.337 CC(C)CC(=O)CCC(C)(C)C 1458a_100000757465_100000210624 [0,1,0,0,1,0|1,0,1]=4 2294 B11R0.337 CC(F)(F)CCC(=O)CC(=O)N 1458a_100000030992_100000187820 [0,1,0,0,1,0|2,0,0]=4 2295 B11R0.337 CC(F)(F)CCC(=O)CC(=O)[O-] 1458a_100000030992_100020667443 [0,1,0,0,1,0|2,0,0]=4 2296 B11R0.337 CC(O)CC(=O)CCC(C)(C)C 1458a_100000757465_100011218427 [0,1,0,0,1,0|0,0,2]=4 2297 B11R0.337 CN(C)CC(=O)CCC(C)(C)C 1458a_100000750896_100000755188 [0,1,0,0,1,0|2,0,0]=4 2298 B11R0.337 CN(C)CC(=O)OCC(C)(C)C 2230a_100102631434_200010402935 [0,1,0,0,1,0|2,0,0]=4 2299 B11R0.337 CN(C)CC(=O)OCC(C)(C)C 269982a_100102631434_200010402935 [0,1,0,0,1,0|2,0,0]=4 2300 B11R0.337 C[C@@H](O)CC(=O)CCC(C)(C)C 1458a_100011933948_100000755188 [0,1,0,0,1,0|0,0,2]=4 2301 B11R0.337 C[N+](C)(C)CCC(=O)CC(=O)N 1458a_100134613110_100000085578 [0,1,0,0,1,0|2,0,0]=4 2302 B11R0.337 C[S+](C)CC(=O)CCC(C)(C)C 1458a_200159257847_100000755188 [0,1,0,0,1,0|2,0,0]=4 2303 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)N 1458a_100011215282_100000187820 [0,1,0,0,1,0|1,1,0]=4 2304 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)N 1458a_100134613110_200000733723 [0,1,0,0,1,0|1,1,0]=4 2305 B11R0.337 C[Si](C)(C)CCC(=O)CC(=O)[O-] 1458a_100011215282_100020667443 [0,1,0,0,1,0|1,1,0]=4 2306 B11R0.109 C=C(C)C(=O)NCCC(C)CC 11a_100020591266_100000185857 [0,1,0,0,1,0|2,0,0]=4 2307 B11R0.109 C=C(C)C(=O)NCCC(C)CC 1626a_100020591266_100000185857 [0,1,0,0,1,0|2,0,0]=4 2308 B11R0.109 C=C(C)C(=O)OCCN(C)CC 2230a_100000225621_100009816335 [0,1,0,0,1,0|2,0,0]=4 2309 B11R0.109 C=C(C)C(=O)OCCN(C)CC 269982a_100000225621_100009816335 [0,1,0,0,1,0|2,0,0]=4 2310 B11R0.109 CC(=O)C(=O)CNCC(C)CO 34a_100000744482_100011261029 [0,1,0,0,1,0|2,0,0]=4 2311 B11R0.109 CC(=O)C(=O)COCC(C)CN 34a_100000744482_100011261029 [0,1,0,0,1,0|2,0,0]=4 2312 B11R0.109 CC(=O)C(=O)CSC[C@@H](C)CO 62a_100000059175_100011261029 [0,1,0,0,1,0|2,0,0]=4 2313 B11R0.109 CC(=O)C(=O)CSC[C@@H](C)CO 62a_100011261029_100000059175 [0,1,0,0,1,0|2,0,0]=4 2314 B11R0.109 CC(CO)CCNC(=O)C(=O)N 240690a_106354213184_100011215815 [0,1,0,0,1,0|2,0,0]=4 2315 B11R0.109 CCC(C)CCNC(=O)C(=O)N 240690a_100020591266_100011215815 [0,1,0,0,1,0|2,0,0]=4 2316 B11R0.109 CCC(C)CCOC(C)C(=O)C 7a_100011215188_100000179758 [0,1,0,0,1,0|1,0,1]=4 2317 B11R0.109 CCC(C)CSCC(=O)C(=O)C 62a_100000748023_100011261029 [0,1,0,0,1,0|2,0,0]=4 2318 B11R0.109 CCC(C)CSCC(=O)C(=O)C 62a_100011261029_100000748023 [0,1,0,0,1,0|2,0,0]=4 2319 B11R0.109 CC[C@H](C)CSCC(=O)C(=O)C 62a_100009816398_100011261029 [0,1,0,0,1,0|2,0,0]=4 2320 B11R0.109 CC[C@H](C)CSCC(=O)C(=O)C 62a_100011261029_100009816398 [0,1,0,0,1,0|2,0,0]=4 2321 B11R0.109 COC(C)CCOC(C)C(=O)C 7a_100000764861_100000179758 [0,1,0,0,1,0|1,0,1]=4 2322 B11R0.109 COC(C)COCC(=O)C(=O)C 34a_100000690652_100011261029 [0,1,0,0,1,0|2,0,0]=4 2323 B11R0.150 C=C(C)C(=O)NCC(O)C(C)C 11a_100000759067_100000185857 [0,1,0,0,1,0|2,0,0]=4 2324 B11R0.150 CC(C)C(O)CNC(=O)C(=O)N 240690a_100000759067_100011215815 [0,1,0,0,1,0|2,0,0]=4 2325 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 34a_100000747739_100000210312 [0,1,0,0,1,0|1,0,1]=4 2326 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 7a_100000210254_100000075568 [0,1,0,0,1,0|1,0,1]=4 2327 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 7a_100000747739_100000210626 [0,1,0,0,1,0|1,0,1]=4 2328 B11R0.318 C=C(C)C(=O)NCCC(C)(C)C 11a_100000738805_100000185857 [0,1,0,0,1,0|2,0,0]=4 2329 B11R0.318 C=C(C)C(=O)NCCC(C)(C)C 1626a_100000738805_100000185857 [0,1,0,0,1,0|2,0,0]=4 2330 B11R0.318 C=C(C)C(=O)NCCC(C)(C)F 11a_100016253952_100000185857 [0,1,0,0,1,0|2,0,0]=4 2331 B11R0.318 C=C(C)C(=O)NCCC(C)(C)F 1626a_100016253952_100000185857 [0,1,0,0,1,0|2,0,0]=4 2332 B11R0.318 C=C(C)C(=O)NCCC(C)(C)O 1626a_100000707701_100000185857 [0,1,0,0,1,0|2,0,0]=4 2333 B11R0.318 CC(=O)C(=O)COCC(C)(C)F 34a_100000716592_100011261029 [0,1,0,0,1,0|2,0,0]=4 2334 B11R0.318 CC(=O)C(=O)CSCC(C)(C)C 62a_100011219605_100011261029 [0,1,0,0,1,0|2,0,0]=4 2335 B11R0.318 CC(=O)C(=O)CSCC(C)(C)C 62a_100011261029_100011219605 [0,1,0,0,1,0|2,0,0]=4 2336 B11R0.318 CC(=O)C(=O)CSCC(C)(C)F 62a_100011261029_100011997219 [0,1,0,0,1,0|2,0,0]=4 2337 B11R0.318 CC(=O)C(=O)CSCC(C)(C)F 62a_100011997219_100011261029 [0,1,0,0,1,0|2,0,0]=4 2338 B11R0.318 CC(=O)C(=O)CSCC(C)(C)O 62a_100000764493_100011261029 [0,1,0,0,1,0|2,0,0]=4 2339 B11R0.318 CC(=O)C(=O)CSCC(C)(C)O 62a_100011261029_100000764493 [0,1,0,0,1,0|2,0,0]=4 2340 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 34a_100000212229_100000755188 [0,1,0,0,1,0|1,0,1]=4 2341 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 7a_100000765024_100000179758 [0,1,0,0,1,0|1,0,1]=4 2342 B11R0.318 CC(=O)C(C)OCCC(C)(C)O 34a_100000212229_100000702414 [0,1,0,0,1,0|1,0,1]=4 2343 B11R0.318 CC(C)(C)CCNC(=O)C(=O)N 240690a_100000738805_100011215815 [0,1,0,0,1,0|2,0,0]=4 2344 B11R0.318 CC(C)(F)CCNC(=O)C(=O)N 240690a_100016253952_100011215815 [0,1,0,0,1,0|2,0,0]=4 2345 B13R0.51 C=C(C)CCC(=O)NCC(O)C(C)C 11a_100000759067_200000688413 [0,1,0,0,0,1|2,0,0]=4 2346 B13R0.51 C=C(C)CCC(=O)NCC(O)C(C)C 240690a_100000759067_200000688413 [0,1,0,0,0,1|2,0,0]=4 2347 B13R0.51 C=C(C)CCC(=O)NCC(O)C(C)C 527a_100000759067_200000688413 [0,1,0,0,0,1|2,0,0]=4 2348 B13R0.51 C=C(C)CNC(=O)NCC(O)C(C)C 2708a_100000765925_100000759067 [0,1,0,0,0,1|2,0,0]=4 2349 B13R0.51 C=C(C)CNC(=O)NCC(O)C(C)C 273464a_100000759067_100000765925 [0,1,0,0,0,1|2,0,0]=4 2350 B13R0.51 C=C(C)CNC(=O)NCC(O)C(C)C 273464a_100000765925_100000759067 [0,1,0,0,0,1|2,0,0]=4 2351 B13R0.51 C=C(C)CNC(=O)NCC(O)C(C)C 512a_100000759067_100000765925 [0,1,0,0,0,1|2,0,0]=4 2352 B13R0.51 C=C(C)CNC(=O)NCC(O)C(C)C 512a_100000765925_100000759067 [0,1,0,0,0,1|2,0,0]=4 2353 B13R0.51 CC(=CCC(=O)NCC(O)C(C)C)C 11a_100000759067_100011220947 [0,1,0,0,0,1|2,0,0]=4 2354 B13R0.51 CC(=CCC(=O)NCC(O)C(C)C)C 240690a_100000759067_100011220947 [0,1,0,0,0,1|2,0,0]=4 2355 B13R0.51 CC(=CCC(=O)NCC(O)C(C)C)C 527a_100000759067_100011220947 [0,1,0,0,0,1|2,0,0]=4 2356 B13R0.51 CC(=O)NCC(=O)NCC(=O)C(C)C 1458a_100000195220_100000210206 [0,1,0,0,0,1|1,0,1]=4 2357 B13R0.51 CC(=O)NCC(=O)NCC(O)C(C)C 11a_100000759067_100000194580 [0,1,0,0,0,1|1,0,0]=3 2358 B13R0.51 CC(=O)NCC(=O)NCC(O)C(C)C 240690a_100000759067_100000194580 [0,1,0,0,0,1|1,0,0]=3 2359 B13R0.51 CC(=O)NCC(=O)NCC(O)C(C)C 527a_100000759067_100000194580 [0,1,0,0,0,1|1,0,0]=3 2360 B13R0.51 CC(=O)NNC(=O)NCC(O)C(C)C 273464a_100000759067_100000189765 [0,1,0,0,0,1|2,0,0]=4 2361 B13R0.51 CC(=O)NNC(=O)NCC(O)C(C)C 512a_100000189765_100000759067 [0,1,0,0,0,1|2,0,0]=4 2362 B13R0.51 CC(=O)OCC(=O)NCC(O)C(C)C 240690a_100000759067_100000183556 [0,1,0,0,0,1|1,0,0]=3 2363 B13R0.51 CC(=O)OCC(=O)NCC(O)C(C)C 527a_100000759067_100000183556 [0,1,0,0,0,1|1,0,0]=3 2364 B13R0.51 CC(=O)SCC(=O)NCC(O)C(C)C 11a_100000759067_100000049016 [0,1,0,0,0,1|1,0,0]=3 2365 B13R0.51 CC(=O)SCC(=O)NCC(O)C(C)C 240690a_100000759067_100000049016 [0,1,0,0,0,1|1,0,0]=3 2366 B13R0.51 CC(C)C(O)CNC(=O)CCC(=O)N 240690a_100000759067_100011215257 [0,1,0,0,0,1|2,0,0]=4 2367 B13R0.51 CC(C)C(O)CNC(=O)CCC(=O)N 527a_100000759067_100011215257 [0,1,0,0,0,1|2,0,0]=4 2368 B13R0.51 CC(C)C(O)CNC(=O)CNC(=O)N 240690a_100000759067_100000184981 [0,1,0,0,0,1|2,0,0]=4 2369 B13R0.51 CC(C)C(O)CNC(=O)CNC(=O)N 527a_100000759067_100000184981 [0,1,0,0,0,1|2,0,0]=4 2370 B13R0.51 CC(C)C(O)CNC(=O)CSC(=O)N 240690a_100000759067_200015941356 [0,1,0,0,0,1|2,0,0]=4 2371 B13R0.51 CC(C)C(O)CNC(=O)NCC(=O)N 273464a_100000711301_100000759067 [0,1,0,0,0,1|2,0,0]=4 2372 B13R0.51 CC(C)C(O)CNC(=O)NCC(=O)N 273464a_100000759067_100000711301 [0,1,0,0,0,1|2,0,0]=4 2373 B13R0.51 CC(C)C(O)CNC(=O)NCC(=O)N 512a_100000759067_100000711301 [0,1,0,0,0,1|2,0,0]=4 2374 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 11a_100020591266_200000688413 [0,1,0,0,0,1|2,0,0]=4 2375 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 1626a_100020591266_200000688413 [0,1,0,0,0,1|2,0,0]=4 2376 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 240690a_100020591266_200000688413 [0,1,0,0,0,1|2,0,0]=4 2377 B13R0.208 C=C(C)CCC(=O)NCCC(C)CC 527a_100020591266_200000688413 [0,1,0,0,0,1|2,0,0]=4 2378 B13R0.208 C=C(C)CCC(=O)NCCC(C)CO 240690a_106354213184_200000688413 [0,1,0,0,0,1|2,0,0]=4 2379 B13R0.208 C=C(C)CCC(=O)NCCC(C)CO 527a_106354213184_200000688413 [0,1,0,0,0,1|2,0,0]=4 2380 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 2708a_100000765925_100020591266 [0,1,0,0,0,1|2,0,0]=4 2381 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 2708a_100020591266_100000765925 [0,1,0,0,0,1|2,0,0]=4 2382 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 273464a_100000765925_100020591266 [0,1,0,0,0,1|2,0,0]=4 2383 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 273464a_100020591266_100000765925 [0,1,0,0,0,1|2,0,0]=4 2384 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 512a_100000765925_100020591266 [0,1,0,0,0,1|2,0,0]=4 2385 B13R0.208 C=C(C)CNC(=O)NCCC(C)CC 512a_100020591266_100000765925 [0,1,0,0,0,1|2,0,0]=4 2386 B13R0.208 C=C(C)CNC(=O)NCCC(C)CO 2708a_100000765925_106354213184 [0,1,0,0,0,1|2,0,0]=4 2387 B13R0.208 C=C(C)CNC(=O)NCCC(C)CO 273464a_100000765925_106354213184 [0,1,0,0,0,1|2,0,0]=4 2388 B13R0.208 C=C(C)CNC(=O)NCCC(C)CO 273464a_106354213184_100000765925 [0,1,0,0,0,1|2,0,0]=4 2389 B13R0.208 C=C(C)CNC(=O)NCCC(C)CO 512a_100000765925_106354213184 [0,1,0,0,0,1|2,0,0]=4 2390 B13R0.208 C=C(C)CNC(=O)NCCC(C)CO 512a_106354213184_100000765925 [0,1,0,0,0,1|2,0,0]=4 2391 B13R0.208 CC(=CCC(=O)NCCC(C)CO)C 240690a_106354213184_100011220947 [0,1,0,0,0,1|2,0,0]=4 2392 B13R0.208 CC(=CCC(=O)NCCC(C)CO)C 527a_106354213184_100011220947 [0,1,0,0,0,1|2,0,0]=4 2393 B13R0.208 CC(=O)NCC(=O)NCCC(C)CO 240690a_106354213184_100000194580 [0,1,0,0,0,1|1,0,0]=3 2394 B13R0.208 CC(=O)NCC(=O)NCCC(C)CO 527a_106354213184_100000194580 [0,1,0,0,0,1|1,0,0]=3 2395 B13R0.208 CC(=O)NNC(=O)NCCC(C)CO 273464a_106354213184_100000189765 [0,1,0,0,0,1|2,0,0]=4 2396 B13R0.208 CC(=O)NNC(=O)NCCC(C)CO 512a_100000189765_106354213184 [0,1,0,0,0,1|2,0,0]=4 2397 B13R0.208 CC(=O)OCC(=O)CNCC(C)CO 34a_100000744482_100000036994 [0,1,0,0,0,1|2,0,0]=4 2398 B13R0.208 CC(=O)OCC(=O)COCC(C)CN 34a_100000744482_100000036994 [0,1,0,0,0,1|2,0,0]=4 2399 B13R0.208 CC(=O)OCC(=O)CSC[C@@H](C)CO 62a_100000036994_100000059175 [0,1,0,0,0,1|2,0,0]=4 2400 B13R0.208 CC(=O)OCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000036994 [0,1,0,0,0,1|2,0,0]=4 2401 B13R0.208 CC(=O)OCC(=O)NCCC(C)CO 240690a_106354213184_100000183556 [0,1,0,0,0,1|1,0,0]=3 2402 B13R0.208 CC(=O)OCC(=O)NCCC(C)CO 527a_106354213184_100000183556 [0,1,0,0,0,1|1,0,0]=3 2403 B13R0.208 CC(=O)SCC(=O)NCCC(C)CO 240690a_106354213184_100000049016 [0,1,0,0,0,1|1,0,0]=3 2404 B13R0.208 CC(CO)CCNC(=O)CCC(=O)N 240690a_106354213184_100011215257 [0,1,0,0,0,1|2,0,0]=4 2405 B13R0.208 CC(CO)CCNC(=O)CCC(=O)N 527a_106354213184_100011215257 [0,1,0,0,0,1|2,0,0]=4 2406 B13R0.208 CC(CO)CCNC(=O)CNC(=O)N 240690a_106354213184_100000184981 [0,1,0,0,0,1|2,0,0]=4 2407 B13R0.208 CC(CO)CCNC(=O)CNC(=O)N 527a_106354213184_100000184981 [0,1,0,0,0,1|2,0,0]=4 2408 B13R0.208 CC(CO)CCNC(=O)CSC(=O)N 240690a_106354213184_200015941356 [0,1,0,0,0,1|2,0,0]=4 2409 B13R0.208 CC(CO)CCNC(=O)NCC(=O)N 273464a_100000711301_106354213184 [0,1,0,0,0,1|2,0,0]=4 2410 B13R0.208 CC(CO)CCNC(=O)NCC(=O)N 273464a_106354213184_100000711301 [0,1,0,0,0,1|2,0,0]=4 2411 B13R0.208 CC(CO)CCNC(=O)NCC(=O)N 512a_106354213184_100000711301 [0,1,0,0,0,1|2,0,0]=4 2412 B13R0.208 CCC(C)CCNC(=O)CC=C(C)C 11a_100020591266_100011220947 [0,1,0,0,0,1|2,0,0]=4 2413 B13R0.208 CCC(C)CCNC(=O)CC=C(C)C 1626a_100020591266_100011220947 [0,1,0,0,0,1|2,0,0]=4 2414 B13R0.208 CCC(C)CCNC(=O)CC=C(C)C 240690a_100020591266_100011220947 [0,1,0,0,0,1|2,0,0]=4 2415 B13R0.208 CCC(C)CCNC(=O)CC=C(C)C 527a_100020591266_100011220947 [0,1,0,0,0,1|2,0,0]=4 2416 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N 240690a_100020591266_100011215257 [0,1,0,0,0,1|2,0,0]=4 2417 B13R0.208 CCC(C)CCNC(=O)CCC(=O)N 527a_100020591266_100011215257 [0,1,0,0,0,1|2,0,0]=4 2418 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 11a_100020591266_100000194580 [0,1,0,0,0,1|1,0,0]=3 2419 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 1626a_100020591266_100000194580 [0,1,0,0,0,1|1,0,0]=3 2420 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 240690a_100020591266_100000194580 [0,1,0,0,0,1|1,0,0]=3 2421 B13R0.208 CCC(C)CCNC(=O)CNC(=O)C 527a_100020591266_100000194580 [0,1,0,0,0,1|1,0,0]=3 2422 B13R0.208 CCC(C)CCNC(=O)CNC(=O)N 240690a_100020591266_100000184981 [0,1,0,0,0,1|2,0,0]=4 2423 B13R0.208 CCC(C)CCNC(=O)CNC(=O)N 527a_100020591266_100000184981 [0,1,0,0,0,1|2,0,0]=4 2424 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 1626a_100020591266_100000183556 [0,1,0,0,0,1|1,0,0]=3 2425 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 240690a_100020591266_100000183556 [0,1,0,0,0,1|1,0,0]=3 2426 B13R0.208 CCC(C)CCNC(=O)COC(=O)C 527a_100020591266_100000183556 [0,1,0,0,0,1|1,0,0]=3 2427 B13R0.208 CCC(C)CCNC(=O)CSC(=O)C 11a_100020591266_100000049016 [0,1,0,0,0,1|1,0,0]=3 2428 B13R0.208 CCC(C)CCNC(=O)CSC(=O)C 1626a_100020591266_100000049016 [0,1,0,0,0,1|1,0,0]=3 2429 B13R0.208 CCC(C)CCNC(=O)CSC(=O)C 240690a_100020591266_100000049016 [0,1,0,0,0,1|1,0,0]=3 2430 B13R0.208 CCC(C)CCNC(=O)CSC(=O)N 240690a_100020591266_200015941356 [0,1,0,0,0,1|2,0,0]=4 2431 B13R0.208 CCC(C)CCNC(=O)NCC(=O)N 2708a_100020591266_100000711301 [0,1,0,0,0,1|2,0,0]=4 2432 B13R0.208 CCC(C)CCNC(=O)NCC(=O)N 273464a_100000711301_100020591266 [0,1,0,0,0,1|2,0,0]=4 2433 B13R0.208 CCC(C)CCNC(=O)NCC(=O)N 273464a_100020591266_100000711301 [0,1,0,0,0,1|2,0,0]=4 2434 B13R0.208 CCC(C)CCNC(=O)NCC(=O)N 512a_100020591266_100000711301 [0,1,0,0,0,1|2,0,0]=4 2435 B13R0.208 CCC(C)CCNC(=O)NNC(=O)C 273464a_100020591266_100000189765 [0,1,0,0,0,1|2,0,0]=4 2436 B13R0.208 CCC(C)CCNC(=O)NNC(=O)C 512a_100000189765_100020591266 [0,1,0,0,0,1|2,0,0]=4 2437 B13R0.208 CCC(C)CSCC(=O)COC(=O)C 62a_100000036994_100000748023 [0,1,0,0,0,1|2,0,0]=4 2438 B13R0.208 CCC(C)CSCC(=O)COC(=O)C 62a_100000748023_100000036994 [0,1,0,0,0,1|2,0,0]=4 2439 B13R0.208 CCN(C)CCCC(=O)CNC(=O)C 1458a_100000194580_100015186262 [0,1,0,0,0,1|2,0,0]=4 2440 B13R0.208 CCN(C)CCCC(=O)COC(=O)C 1458a_100000183556_100015186262 [0,1,0,0,0,1|2,0,0]=4 2441 B13R0.208 CCN(C)CCCC(=O)CSC(=O)C 1458a_100000049016_100015186262 [0,1,0,0,0,1|2,0,0]=4 2442 B13R0.208 CC[C@H](C)CSCC(=O)COC(=O)C 62a_100000036994_100009816398 [0,1,0,0,0,1|2,0,0]=4 2443 B13R0.208 CC[C@H](C)CSCC(=O)COC(=O)C 62a_100009816398_100000036994 [0,1,0,0,0,1|2,0,0]=4 2444 B13R0.208 COC(C)COCC(=O)COC(=O)C 34a_100000690652_100000036994 [0,1,0,0,0,1|2,0,0]=4 2445 B13R0.349 C=C(C)CCC(=O)C(C)CCC(C)C 1458a_200000688413_100011261404 [0,1,0,0,0,1|2,0,0]=4 2446 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 11a_100000742789_200000688413 [0,1,0,0,0,1|2,0,0]=4 2447 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 1626a_100000742789_200000688413 [0,1,0,0,0,1|2,0,0]=4 2448 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 240690a_100000742789_200000688413 [0,1,0,0,0,1|2,0,0]=4 2449 B13R0.349 C=C(C)CCC(=O)N(C)CCC(C)C 527a_100000742789_200000688413 [0,1,0,0,0,1|2,0,0]=4 2450 B13R0.349 C=C(C)CNC(=O)N(C)CCC(C)C 2708a_100000765925_100000742789 [0,1,0,0,0,1|2,0,0]=4 2451 B13R0.349 C=C(C)CNC(=O)N(C)CCC(C)C 273464a_100000765925_100000742789 [0,1,0,0,0,1|2,0,0]=4 2452 B13R0.349 CC(=CCC(=O)C(C)CCC(C)C)C 1458a_100011220947_100011261404 [0,1,0,0,0,1|2,0,0]=4 2453 B13R0.349 CC(=CCC(=O)N(C)CCC(C)C)C 11a_100000742789_100011220947 [0,1,0,0,0,1|2,0,0]=4 2454 B13R0.349 CC(=CCC(=O)N(C)CCC(C)C)C 1626a_100000742789_100011220947 [0,1,0,0,0,1|2,0,0]=4 2455 B13R0.349 CC(=CCC(=O)N(C)CCC(C)C)C 240690a_100000742789_100011220947 [0,1,0,0,0,1|2,0,0]=4 2456 B13R0.349 CC(=CCC(=O)N(C)CCC(C)C)C 527a_100000742789_100011220947 [0,1,0,0,0,1|2,0,0]=4 2457 B13R0.349 CC(=O)NCC(=O)C(C)CCC(C)C 1458a_100000194580_100011261404 [0,1,0,0,0,1|1,0,0]=3 2458 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 11a_100000742789_100000194580 [0,1,0,0,0,1|1,0,0]=3 2459 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 1626a_100000742789_100000194580 [0,1,0,0,0,1|1,0,0]=3 2460 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 240690a_100000742789_100000194580 [0,1,0,0,0,1|1,0,0]=3 2461 B13R0.349 CC(=O)NCC(=O)N(C)CCC(C)C 527a_100000742789_100000194580 [0,1,0,0,0,1|1,0,0]=3 2462 B13R0.349 CC(=O)NCC(=O)N(C)CCN(C)C 240690a_100000225618_100000194580 [0,1,0,0,0,1|2,0,0]=4 2463 B13R0.349 CC(=O)NCC(=O)N(C)CCN(C)C 527a_100000225618_100000194580 [0,1,0,0,0,1|2,0,0]=4 2464 B13R0.349 CC(=O)OCC(=O)C(C)CCC(C)C 1458a_100000183556_100011261404 [0,1,0,0,0,1|1,0,0]=3 2465 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 1626a_100000742789_100000183556 [0,1,0,0,0,1|1,0,0]=3 2466 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 240690a_100000742789_100000183556 [0,1,0,0,0,1|1,0,0]=3 2467 B13R0.349 CC(=O)OCC(=O)N(C)CCC(C)C 527a_100000742789_100000183556 [0,1,0,0,0,1|1,0,0]=3 2468 B13R0.349 CC(=O)OCC(=O)N(C)CCN(C)C 240690a_100000225618_100000183556 [0,1,0,0,0,1|2,0,0]=4 2469 B13R0.349 CC(=O)OCC(=O)N(C)CCN(C)C 527a_100000225618_100000183556 [0,1,0,0,0,1|2,0,0]=4 2470 B13R0.349 CC(=O)SCC(=O)C(C)CCC(C)C 1458a_100000049016_100011261404 [0,1,0,0,0,1|1,0,0]=3 2471 B13R0.349 CC(=O)SCC(=O)N(C)CCC(C)C 11a_100000742789_100000049016 [0,1,0,0,0,1|1,0,0]=3 2472 B13R0.349 CC(=O)SCC(=O)N(C)CCC(C)C 1626a_100000742789_100000049016 [0,1,0,0,0,1|1,0,0]=3 2473 B13R0.349 CC(=O)SCC(=O)N(C)CCC(C)C 240690a_100000742789_100000049016 [0,1,0,0,0,1|1,0,0]=3 2474 B13R0.349 CC(=O)SCC(=O)N(C)CCN(C)C 240690a_100000225618_100000049016 [0,1,0,0,0,1|2,0,0]=4 2475 B13R0.349 CC(C)CCC(C)C(=O)CCC(=O)N 1458a_100011215257_100011261404 [0,1,0,0,0,1|2,0,0]=4 2476 B13R0.349 CC(C)CCC(C)C(=O)CNC(=O)N 1458a_100000184981_100011261404 [0,1,0,0,0,1|2,0,0]=4 2477 B13R0.349 CC(C)CCN(C)C(=O)CCC(=O)N 240690a_100000742789_100011215257 [0,1,0,0,0,1|2,0,0]=4 2478 B13R0.349 CC(C)CCN(C)C(=O)CCC(=O)N 527a_100000742789_100011215257 [0,1,0,0,0,1|2,0,0]=4 2479 B13R0.349 CC(C)CCN(C)C(=O)CNC(=O)N 240690a_100000742789_100000184981 [0,1,0,0,0,1|2,0,0]=4 2480 B13R0.349 CC(C)CCN(C)C(=O)CNC(=O)N 527a_100000742789_100000184981 [0,1,0,0,0,1|2,0,0]=4 2481 B13R0.349 CC(C)CCN(C)C(=O)CSC(=O)N 240690a_100000742789_200015941356 [0,1,0,0,0,1|2,0,0]=4 2482 B13R0.349 CC(C)CCN(C)C(=O)NCC(=O)N 273464a_100000711301_100000742789 [0,1,0,0,0,1|2,0,0]=4 2483 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 11a_100000738805_200000688413 [0,1,0,0,0,1|2,0,0]=4 2484 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 1626a_100000738805_200000688413 [0,1,0,0,0,1|2,0,0]=4 2485 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 240690a_100000738805_200000688413 [0,1,0,0,0,1|2,0,0]=4 2486 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)C 527a_100000738805_200000688413 [0,1,0,0,0,1|2,0,0]=4 2487 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 11a_100016253952_200000688413 [0,1,0,0,0,1|2,0,0]=4 2488 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 1626a_100016253952_200000688413 [0,1,0,0,0,1|2,0,0]=4 2489 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 240690a_100016253952_200000688413 [0,1,0,0,0,1|2,0,0]=4 2490 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)F 527a_100016253952_200000688413 [0,1,0,0,0,1|2,0,0]=4 2491 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)O 1626a_100000707701_200000688413 [0,1,0,0,0,1|2,0,0]=4 2492 B13R0.351 C=C(C)CCC(=O)NCCC(C)(C)O 527a_100000707701_200000688413 [0,1,0,0,0,1|2,0,0]=4 2493 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)C 2708a_100000738805_100000765925 [0,1,0,0,0,1|2,0,0]=4 2494 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)C 2708a_100000765925_100000738805 [0,1,0,0,0,1|2,0,0]=4 2495 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)C 273464a_100000738805_100000765925 [0,1,0,0,0,1|2,0,0]=4 2496 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)C 273464a_100000765925_100000738805 [0,1,0,0,0,1|2,0,0]=4 2497 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)C 512a_100000738805_100000765925 [0,1,0,0,0,1|2,0,0]=4 2498 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)C 512a_100000765925_100000738805 [0,1,0,0,0,1|2,0,0]=4 2499 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)F 2708a_100000765925_100016253952 [0,1,0,0,0,1|2,0,0]=4 2500 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)F 2708a_100016253952_100000765925 [0,1,0,0,0,1|2,0,0]=4 2501 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)F 273464a_100000765925_100016253952 [0,1,0,0,0,1|2,0,0]=4 2502 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)F 273464a_100016253952_100000765925 [0,1,0,0,0,1|2,0,0]=4 2503 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)F 512a_100000765925_100016253952 [0,1,0,0,0,1|2,0,0]=4 2504 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)F 512a_100016253952_100000765925 [0,1,0,0,0,1|2,0,0]=4 2505 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)O 2708a_100000707701_100000765925 [0,1,0,0,0,1|2,0,0]=4 2506 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)O 2708a_100000765925_100000707701 [0,1,0,0,0,1|2,0,0]=4 2507 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)O 273464a_100000707701_100000765925 [0,1,0,0,0,1|2,0,0]=4 2508 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)O 273464a_100000765925_100000707701 [0,1,0,0,0,1|2,0,0]=4 2509 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)O 512a_100000707701_100000765925 [0,1,0,0,0,1|2,0,0]=4 2510 B13R0.351 C=C(C)CNC(=O)NCCC(C)(C)O 512a_100000765925_100000707701 [0,1,0,0,0,1|2,0,0]=4 2511 B13R0.351 CC(=CCC(=O)NCCC(C)(C)C)C 11a_100000738805_100011220947 [0,1,0,0,0,1|2,0,0]=4 2512 B13R0.351 CC(=CCC(=O)NCCC(C)(C)C)C 1626a_100000738805_100011220947 [0,1,0,0,0,1|2,0,0]=4 2513 B13R0.351 CC(=CCC(=O)NCCC(C)(C)C)C 240690a_100000738805_100011220947 [0,1,0,0,0,1|2,0,0]=4 2514 B13R0.351 CC(=CCC(=O)NCCC(C)(C)C)C 527a_100000738805_100011220947 [0,1,0,0,0,1|2,0,0]=4 2515 B13R0.351 CC(=CCC(=O)NCCC(C)(C)F)C 11a_100016253952_100011220947 [0,1,0,0,0,1|2,0,0]=4 2516 B13R0.351 CC(=CCC(=O)NCCC(C)(C)F)C 1626a_100016253952_100011220947 [0,1,0,0,0,1|2,0,0]=4 2517 B13R0.351 CC(=CCC(=O)NCCC(C)(C)F)C 240690a_100016253952_100011220947 [0,1,0,0,0,1|2,0,0]=4 2518 B13R0.351 CC(=CCC(=O)NCCC(C)(C)F)C 527a_100016253952_100011220947 [0,1,0,0,0,1|2,0,0]=4 2519 B13R0.351 CC(=CCC(=O)NCCC(C)(C)O)C 1626a_100000707701_100011220947 [0,1,0,0,0,1|2,0,0]=4 2520 B13R0.351 CC(=CCC(=O)NCCC(C)(C)O)C 527a_100000707701_100011220947 [0,1,0,0,0,1|2,0,0]=4 2521 B13R0.351 CC(=O)CCC(=O)OCC[N+](C)(C)C 1458a_100000730269_200000210301 [0,1,0,0,0,1|1,0,0]=3 2522 B13R0.351 CC(=O)NCC(=O)CCC[N+](C)(C)C 1458a_100000194580_100016990835 [0,1,0,0,0,1|2,0,0]=4 2523 B13R0.351 CC(=O)NCC(=O)CCC[Si](C)(C)C 1458a_100000194580_100011219597 [0,1,0,0,0,1|1,1,0]=4 2524 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 11a_100000738805_100000194580 [0,1,0,0,0,1|1,0,0]=3 2525 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 1626a_100000738805_100000194580 [0,1,0,0,0,1|1,0,0]=3 2526 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 240690a_100000738805_100000194580 [0,1,0,0,0,1|1,0,0]=3 2527 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)C 527a_100000738805_100000194580 [0,1,0,0,0,1|1,0,0]=3 2528 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 11a_100016253952_100000194580 [0,1,0,0,0,1|1,0,0]=3 2529 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 1626a_100016253952_100000194580 [0,1,0,0,0,1|1,0,0]=3 2530 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 240690a_100016253952_100000194580 [0,1,0,0,0,1|1,0,0]=3 2531 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)F 527a_100016253952_100000194580 [0,1,0,0,0,1|1,0,0]=3 2532 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)O 1626a_100000707701_100000194580 [0,1,0,0,0,1|1,0,0]=3 2533 B13R0.351 CC(=O)NCC(=O)NCCC(C)(C)O 527a_100000707701_100000194580 [0,1,0,0,0,1|1,0,0]=3 2534 B13R0.351 CC(=O)NCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000194580 [0,1,0,0,0,1|2,0,0]=4 2535 B13R0.351 CC(=O)NCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000194580 [0,1,0,0,0,1|2,0,0]=4 2536 B13R0.351 CC(=O)NCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000194580 [0,1,0,0,0,1|2,0,0]=4 2537 B13R0.351 CC(=O)NNC(=O)NCCC(C)(C)C 273464a_100000738805_100000189765 [0,1,0,0,0,1|2,0,0]=4 2538 B13R0.351 CC(=O)NNC(=O)NCCC(C)(C)C 512a_100000189765_100000738805 [0,1,0,0,0,1|2,0,0]=4 2539 B13R0.351 CC(=O)NNC(=O)NCCC(C)(C)F 273464a_100016253952_100000189765 [0,1,0,0,0,1|2,0,0]=4 2540 B13R0.351 CC(=O)NNC(=O)NCCC(C)(C)F 512a_100000189765_100016253952 [0,1,0,0,0,1|2,0,0]=4 2541 B13R0.351 CC(=O)NNC(=O)NCCC(C)(C)O 273464a_100000707701_100000189765 [0,1,0,0,0,1|2,0,0]=4 2542 B13R0.351 CC(=O)NNC(=O)NCCC(C)(C)O 512a_100000189765_100000707701 [0,1,0,0,0,1|2,0,0]=4 2543 B13R0.351 CC(=O)OCC(=O)CCC[N+](C)(C)C 1458a_100000183556_100016990835 [0,1,0,0,0,1|2,0,0]=4 2544 B13R0.351 CC(=O)OCC(=O)CCC[Si](C)(C)C 1458a_100000183556_100011219597 [0,1,0,0,0,1|1,1,0]=4 2545 B13R0.351 CC(=O)OCC(=O)COCC(C)(C)F 34a_100000716592_100000036994 [0,1,0,0,0,1|2,0,0]=4 2546 B13R0.351 CC(=O)OCC(=O)CSCC(C)(C)C 62a_100000036994_100011219605 [0,1,0,0,0,1|2,0,0]=4 2547 B13R0.351 CC(=O)OCC(=O)CSCC(C)(C)C 62a_100011219605_100000036994 [0,1,0,0,0,1|2,0,0]=4 2548 B13R0.351 CC(=O)OCC(=O)CSCC(C)(C)F 62a_100000036994_100011997219 [0,1,0,0,0,1|2,0,0]=4 2549 B13R0.351 CC(=O)OCC(=O)CSCC(C)(C)F 62a_100011997219_100000036994 [0,1,0,0,0,1|2,0,0]=4 2550 B13R0.351 CC(=O)OCC(=O)CSCC(C)(C)O 62a_100000036994_100000764493 [0,1,0,0,0,1|2,0,0]=4 2551 B13R0.351 CC(=O)OCC(=O)CSCC(C)(C)O 62a_100000764493_100000036994 [0,1,0,0,0,1|2,0,0]=4 2552 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)C 1626a_100000738805_100000183556 [0,1,0,0,0,1|1,0,0]=3 2553 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)C 240690a_100000738805_100000183556 [0,1,0,0,0,1|1,0,0]=3 2554 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)C 527a_100000738805_100000183556 [0,1,0,0,0,1|1,0,0]=3 2555 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)F 1626a_100016253952_100000183556 [0,1,0,0,0,1|1,0,0]=3 2556 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)F 240690a_100016253952_100000183556 [0,1,0,0,0,1|1,0,0]=3 2557 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)F 527a_100016253952_100000183556 [0,1,0,0,0,1|1,0,0]=3 2558 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)O 1626a_100000707701_100000183556 [0,1,0,0,0,1|1,0,0]=3 2559 B13R0.351 CC(=O)OCC(=O)NCCC(C)(C)O 527a_100000707701_100000183556 [0,1,0,0,0,1|1,0,0]=3 2560 B13R0.351 CC(=O)OCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000183556 [0,1,0,0,0,1|2,0,0]=4 2561 B13R0.351 CC(=O)OCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000183556 [0,1,0,0,0,1|2,0,0]=4 2562 B13R0.351 CC(=O)OCC(=O)NCC[N+](C)(C)C 527a_100000106457_100000183556 [0,1,0,0,0,1|2,0,0]=4 2563 B13R0.351 CC(=O)SCC(=O)CCC[N+](C)(C)C 1458a_100000049016_100016990835 [0,1,0,0,0,1|2,0,0]=4 2564 B13R0.351 CC(=O)SCC(=O)CCC[Si](C)(C)C 1458a_100000049016_100011219597 [0,1,0,0,0,1|1,1,0]=4 2565 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)C 11a_100000738805_100000049016 [0,1,0,0,0,1|1,0,0]=3 2566 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)C 1626a_100000738805_100000049016 [0,1,0,0,0,1|1,0,0]=3 2567 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)C 240690a_100000738805_100000049016 [0,1,0,0,0,1|1,0,0]=3 2568 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)F 11a_100016253952_100000049016 [0,1,0,0,0,1|1,0,0]=3 2569 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)F 1626a_100016253952_100000049016 [0,1,0,0,0,1|1,0,0]=3 2570 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)F 240690a_100016253952_100000049016 [0,1,0,0,0,1|1,0,0]=3 2571 B13R0.351 CC(=O)SCC(=O)NCCC(C)(C)O 1626a_100000707701_100000049016 [0,1,0,0,0,1|1,0,0]=3 2572 B13R0.351 CC(=O)SCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000049016 [0,1,0,0,0,1|2,0,0]=4 2573 B13R0.351 CC(=O)SCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000049016 [0,1,0,0,0,1|2,0,0]=4 2574 B13R0.351 CC(C)(C)CCNC(=O)CCC(=O)N 240690a_100000738805_100011215257 [0,1,0,0,0,1|2,0,0]=4 2575 B13R0.351 CC(C)(C)CCNC(=O)CCC(=O)N 527a_100000738805_100011215257 [0,1,0,0,0,1|2,0,0]=4 2576 B13R0.351 CC(C)(C)CCNC(=O)CNC(=O)N 240690a_100000738805_100000184981 [0,1,0,0,0,1|2,0,0]=4 2577 B13R0.351 CC(C)(C)CCNC(=O)CNC(=O)N 527a_100000738805_100000184981 [0,1,0,0,0,1|2,0,0]=4 2578 B13R0.351 CC(C)(C)CCNC(=O)CSC(=O)N 240690a_100000738805_200015941356 [0,1,0,0,0,1|2,0,0]=4 2579 B13R0.351 CC(C)(C)CCNC(=O)NCC(=O)N 2708a_100000738805_100000711301 [0,1,0,0,0,1|2,0,0]=4 2580 B13R0.351 CC(C)(C)CCNC(=O)NCC(=O)N 273464a_100000711301_100000738805 [0,1,0,0,0,1|2,0,0]=4 2581 B13R0.351 CC(C)(C)CCNC(=O)NCC(=O)N 273464a_100000738805_100000711301 [0,1,0,0,0,1|2,0,0]=4 2582 B13R0.351 CC(C)(C)CCNC(=O)NCC(=O)N 512a_100000738805_100000711301 [0,1,0,0,0,1|2,0,0]=4 2583 B13R0.351 CC(C)(F)CCNC(=O)CCC(=O)N 240690a_100016253952_100011215257 [0,1,0,0,0,1|2,0,0]=4 2584 B13R0.351 CC(C)(F)CCNC(=O)CCC(=O)N 527a_100016253952_100011215257 [0,1,0,0,0,1|2,0,0]=4 2585 B13R0.351 CC(C)(F)CCNC(=O)CNC(=O)N 240690a_100016253952_100000184981 [0,1,0,0,0,1|2,0,0]=4 2586 B13R0.351 CC(C)(F)CCNC(=O)CNC(=O)N 527a_100016253952_100000184981 [0,1,0,0,0,1|2,0,0]=4 2587 B13R0.351 CC(C)(F)CCNC(=O)CSC(=O)N 240690a_100016253952_200015941356 [0,1,0,0,0,1|2,0,0]=4 2588 B13R0.351 CC(C)(F)CCNC(=O)NCC(=O)N 2708a_100016253952_100000711301 [0,1,0,0,0,1|2,0,0]=4 2589 B13R0.351 CC(C)(F)CCNC(=O)NCC(=O)N 273464a_100000711301_100016253952 [0,1,0,0,0,1|2,0,0]=4 2590 B13R0.351 CC(C)(F)CCNC(=O)NCC(=O)N 273464a_100016253952_100000711301 [0,1,0,0,0,1|2,0,0]=4 2591 B13R0.351 CC(C)(F)CCNC(=O)NCC(=O)N 512a_100016253952_100000711301 [0,1,0,0,0,1|2,0,0]=4 2592 B13R0.351 CC(C)(O)CCNC(=O)CCC(=O)N 527a_100000707701_100011215257 [0,1,0,0,0,1|2,0,0]=4 2593 B13R0.351 CC(C)(O)CCNC(=O)CNC(=O)N 527a_100000707701_100000184981 [0,1,0,0,0,1|2,0,0]=4 2594 B13R0.351 CC(C)(O)CCNC(=O)NCC(=O)N 2708a_100000707701_100000711301 [0,1,0,0,0,1|2,0,0]=4 2595 B13R0.351 CC(C)(O)CCNC(=O)NCC(=O)N 273464a_100000707701_100000711301 [0,1,0,0,0,1|2,0,0]=4 2596 B13R0.351 CC(C)(O)CCNC(=O)NCC(=O)N 273464a_100000711301_100000707701 [0,1,0,0,0,1|2,0,0]=4 2597 B13R0.351 CC(C)(O)CCNC(=O)NCC(=O)N 512a_100000707701_100000711301 [0,1,0,0,0,1|2,0,0]=4 2598 B13R0.351 C[N+](C)(C)CCOC(=O)CCC(=O)[13CH3] 1458a_100000730269_200025704644 [0,1,0,0,0,1|1,0,0]=3 2599 B13R0.444 CC(=O)C(=O)CC(=O)CCCC(C)C 1458a_100011216857_100011261029 [0,1,0,0,0,1|1,0,0]=3 2600 B13R0.444 CC(=O)C(=O)CC(=O)COCC(C)C 1458a_100011223364_100011261029 [0,1,0,0,0,1|2,0,0]=4 2601 B13R0.444 CC(=O)N(C)CC(=O)CCCC(C)C 1458a_100000194957_100011214892 [0,1,0,0,0,1|1,0,0]=3 2602 B13R0.444 CC(=O)N(C)CC(=O)CCCC(C)O 1458a_100000194957_200000718107 [0,1,0,0,0,1|2,0,0]=4 2603 B13R0.444 CC(=O)N(C)CC(=O)CCCN(C)C 1458a_100000194957_100000695564 [0,1,0,0,0,1|2,0,0]=4 2604 B13R0.444 CC(=O)N(C)CC(=O)CCOC(C)C 1458a_100000194957_100000211751 [0,1,0,0,0,1|2,0,0]=4 2605 B13R0.444 CC(=O)N(C)CC(=O)CCSC(C)C 1458a_100000194957_100000730970 [0,1,0,0,0,1|2,0,0]=4 2606 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 11a_100000210545_100000194957 [0,1,0,0,0,1|1,0,0]=3 2607 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 1626a_100000210545_100000194957 [0,1,0,0,0,1|1,0,0]=3 2608 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 240690a_100000210545_100000194957 [0,1,0,0,0,1|1,0,0]=3 2609 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)C 527a_100000210545_100000194957 [0,1,0,0,0,1|1,0,0]=3 2610 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)O 240690a_200000755665_100000194957 [0,1,0,0,0,1|2,0,0]=4 2611 B13R0.444 CC(=O)N(C)CC(=O)NCCC(C)O 527a_200000755665_100000194957 [0,1,0,0,0,1|2,0,0]=4 2612 B13R0.444 CC(=O)N(C)CC(=O)NCCN(C)C 240690a_100000210585_100000194957 [0,1,0,0,0,1|2,0,0]=4 2613 B13R0.444 CC(=O)N(C)CC(=O)NCCN(C)C 527a_100000210585_100000194957 [0,1,0,0,0,1|2,0,0]=4 2614 B13R0.444 CC(=O)N(C)CC(=O)NNCC(C)C 22a_100000696102_100000194957 [0,1,0,0,0,1|2,0,0]=4 2615 B13R0.444 CC(C)CCCC(=O)CN(C)C(=O)N 1458a_100000218718_100011214892 [0,1,0,0,0,1|2,0,0]=4 2616 B13R0.444 CC(C)CCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100011216857 [0,1,0,0,0,1|2,0,0]=4 2617 B13R0.444 CC(C)CCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100011216857 [0,1,0,0,0,1|2,0,0]=4 2618 B13R0.444 CC(C)CCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100011216857 [0,1,0,0,0,1|2,0,0]=4 2619 B13R0.444 CC(C)CCNC(=O)CN(C)C(=O)N 240690a_100000210545_100000218718 [0,1,0,0,0,1|2,0,0]=4 2620 B13R0.444 CC(C)CCNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100000210545 [0,1,0,0,0,1|2,0,0]=4 2621 B13R0.444 CC(C)CCNC(=O)N[C@H](C)C(=O)N 273464a_100000210545_100000119354 [0,1,0,0,0,1|2,0,0]=4 2622 B13R0.444 CC(C)CCNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100000210545 [0,1,0,0,0,1|2,0,0]=4 2623 B13R0.444 CC(C)CCNC(=O)N[C@H](C)C(=O)N 512a_100000210545_100000119354 [0,1,0,0,0,1|2,0,0]=4 2624 B13R0.493 C=CC(=O)NCC(=O)CCCC(C)C 1458a_200011222540_100011214892 [0,1,0,0,0,1|1,0,1]=4 2625 B13R0.493 C=CC(=O)NCC(=O)NCCC(C)C 11a_100000210545_200011222540 [0,1,0,0,0,1|1,0,1]=4 2626 B13R0.493 C=CC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_200011222540 [0,1,0,0,0,1|1,0,1]=4 2627 B13R0.493 C=CC(=O)NCC(=O)NCCC(C)C 527a_100000210545_200011222540 [0,1,0,0,0,1|1,0,1]=4 2628 B13R0.493 CCC(=O)NCC(=O)CCCC(C)C 1458a_100000194589_100011214892 [0,1,0,0,0,1|1,0,0]=3 2629 B13R0.493 CCC(=O)NCC(=O)CCCC(C)O 1458a_100000194589_200000718107 [0,1,0,0,0,1|2,0,0]=4 2630 B13R0.493 CCC(=O)NCC(=O)CCCN(C)C 1458a_100000194589_100000695564 [0,1,0,0,0,1|2,0,0]=4 2631 B13R0.493 CCC(=O)NCC(=O)CCOC(C)C 1458a_100000194589_100000211751 [0,1,0,0,0,1|2,0,0]=4 2632 B13R0.493 CCC(=O)NCC(=O)CCSC(C)C 1458a_100000194589_100000730970 [0,1,0,0,0,1|2,0,0]=4 2633 B13R0.493 CCC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000194589 [0,1,0,0,0,1|1,0,0]=3 2634 B13R0.493 CCC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000194589 [0,1,0,0,0,1|1,0,0]=3 2635 B13R0.493 CCC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000194589 [0,1,0,0,0,1|1,0,0]=3 2636 B13R0.493 CCC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000194589 [0,1,0,0,0,1|1,0,0]=3 2637 B13R0.493 CCC(=O)NCC(=O)NCCC(C)O 240690a_200000755665_100000194589 [0,1,0,0,0,1|2,0,0]=4 2638 B13R0.493 CCC(=O)NCC(=O)NCCC(C)O 527a_200000755665_100000194589 [0,1,0,0,0,1|2,0,0]=4 2639 B13R0.493 CCC(=O)NCC(=O)NCCN(C)C 240690a_100000210585_100000194589 [0,1,0,0,0,1|2,0,0]=4 2640 B13R0.493 CCC(=O)NCC(=O)NCCN(C)C 527a_100000210585_100000194589 [0,1,0,0,0,1|2,0,0]=4 2641 B13R0.493 CCC(=O)NCC(=O)NNCC(C)C 22a_100000696102_100000194589 [0,1,0,0,0,1|2,0,0]=4 2642 B13R0.493 CCC(=O)NNC(=O)CCCC(C)C 22a_100000183195_100011216857 [0,1,0,0,0,1|2,0,0]=4 2643 B13R0.493 CCC(=O)NNC(=O)NCCC(C)C 273464a_100000210545_100000183195 [0,1,0,0,0,1|2,0,0]=4 2644 B13R0.493 CCC(=O)NNC(=O)NCCC(C)C 512a_100000210545_100000183195 [0,1,0,0,0,1|2,0,0]=4 2645 B13R0.493 CCS(=O)CCC(=O)CCCC(C)C 1458a_100011387550_100011214892 [0,1,0,0,0,1|2,0,0]=4 2646 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 11a_100000210545_100011387550 [0,1,0,0,0,1|2,0,0]=4 2647 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100011387550 [0,1,0,0,0,1|2,0,0]=4 2648 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100011387550 [0,1,0,0,0,1|2,0,0]=4 2649 B13R0.493 CCS(=O)CCC(=O)NCCC(C)C 527a_100000210545_100011387550 [0,1,0,0,0,1|2,0,0]=4 2650 B13R0.493 CNC(=O)C=CC(=O)CCCC(C)C 1458a_100016259477_100011214892 [0,1,0,0,0,1|1,0,1]=4 2651 B13R0.493 CNC(=O)C=CC(=O)NCCC(C)C 1626a_100000210545_100016259477 [0,1,0,0,0,1|1,0,1]=4 2652 B13R0.493 CNC(=O)CCC(=O)CCCC(C)C 1458a_100011309844_100011214892 [0,1,0,0,0,1|1,0,0]=3 2653 B13R0.493 CNC(=O)CCC(=O)CCCC(C)O 1458a_100011309844_200000718107 [0,1,0,0,0,1|2,0,0]=4 2654 B13R0.493 CNC(=O)CCC(=O)CCCN(C)C 1458a_100011309844_100000695564 [0,1,0,0,0,1|2,0,0]=4 2655 B13R0.493 CNC(=O)CCC(=O)CCOC(C)C 1458a_100011309844_100000211751 [0,1,0,0,0,1|2,0,0]=4 2656 B13R0.493 CNC(=O)CCC(=O)CCSC(C)C 1458a_100011309844_100000730970 [0,1,0,0,0,1|2,0,0]=4 2657 B13R0.493 CNC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100011309844 [0,1,0,0,0,1|1,0,0]=3 2658 B13R0.493 CNC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100011309844 [0,1,0,0,0,1|1,0,0]=3 2659 B13R0.493 CNC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100011309844 [0,1,0,0,0,1|1,0,0]=3 2660 B13R0.493 CNC(=O)CCC(=O)NCCC(C)C 527a_100000210545_100011309844 [0,1,0,0,0,1|1,0,0]=3 2661 B13R0.493 CNC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100011309844 [0,1,0,0,0,1|2,0,0]=4 2662 B13R0.493 CNC(=O)CCC(=O)NCCC(C)O 527a_200000755665_100011309844 [0,1,0,0,0,1|2,0,0]=4 2663 B13R0.493 CNC(=O)CCC(=O)NCCN(C)C 240690a_100000210585_100011309844 [0,1,0,0,0,1|2,0,0]=4 2664 B13R0.493 CNC(=O)CCC(=O)NCCN(C)C 527a_100000210585_100011309844 [0,1,0,0,0,1|2,0,0]=4 2665 B13R0.493 CNC(=O)CCC(=O)NNCC(C)C 22a_100000696102_100011309844 [0,1,0,0,0,1|2,0,0]=4 2666 B13R0.493 CNC(=O)CNC(=O)CCCC(C)C 11a_100000693194_100011216857 [0,1,0,0,0,1|1,0,0]=3 2667 B13R0.493 CNC(=O)CNC(=O)CCCC(C)C 240690a_100000693194_100011216857 [0,1,0,0,0,1|1,0,0]=3 2668 B13R0.493 CNC(=O)CNC(=O)CCCC(C)C 527a_100000693194_100011216857 [0,1,0,0,0,1|1,0,0]=3 2669 B13R0.493 CNC(=O)CNC(=O)CCCC(C)O 527a_100000693194_100000761597 [0,1,0,0,0,1|2,0,0]=4 2670 B13R0.493 CNC(=O)CNC(=O)CCCN(C)C 11a_100000693194_100000740757 [0,1,0,0,0,1|2,0,0]=4 2671 B13R0.493 CNC(=O)CNC(=O)CCCN(C)C 240690a_100000693194_100000740757 [0,1,0,0,0,1|2,0,0]=4 2672 B13R0.493 CNC(=O)CNC(=O)COCC(C)C 11a_100000693194_100011223364 [0,1,0,0,0,1|2,0,0]=4 2673 B13R0.493 CNC(=O)CNC(=O)COCC(C)C 240690a_100000693194_100011223364 [0,1,0,0,0,1|2,0,0]=4 2674 B13R0.493 CNC(=O)CNC(=O)COCC(C)C 527a_100000693194_100011223364 [0,1,0,0,0,1|2,0,0]=4 2675 B13R0.493 CNC(=O)CNC(=O)NCCC(C)C 2708a_100000210545_100000693194 [0,1,0,0,0,1|1,0,0]=3 2676 B13R0.493 CNC(=O)CNC(=O)NCCC(C)C 273464a_100000210545_100000693194 [0,1,0,0,0,1|1,0,0]=3 2677 B13R0.493 CNC(=O)CNC(=O)NCCC(C)C 273464a_100000693194_100000210545 [0,1,0,0,0,1|1,0,0]=3 2678 B13R0.493 CNC(=O)CNC(=O)NCCC(C)C 512a_100000210545_100000693194 [0,1,0,0,0,1|1,0,0]=3 2679 B13R0.493 CNC(=O)CNC(=O)NCCC(C)O 273464a_200000755665_100000693194 [0,1,0,0,0,1|2,0,0]=4 2680 B13R0.493 CNC(=O)CNC(=O)NCCC(C)O 512a_200000755665_100000693194 [0,1,0,0,0,1|2,0,0]=4 2681 B13R0.493 CNC(=O)CNC(=O)NCCN(C)C 273464a_100000210585_100000693194 [0,1,0,0,0,1|2,0,0]=4 2682 B13R0.493 CNC(=O)CNC(=O)NCCN(C)C 273464a_100000693194_100000210585 [0,1,0,0,0,1|2,0,0]=4 2683 B13R0.493 CNC(=O)CNC(=O)NNCC(C)C 273464a_100000693194_100000696102 [0,1,0,0,0,1|2,0,0]=4 2684 B13R0.493 CNC(=O)CNC(=O)NNCC(C)C 512a_100000696102_100000693194 [0,1,0,0,0,1|2,0,0]=4 2685 B13R0.493 COC(=O)C=CC(=O)NCCC(C)C 1626a_100000210545_100016283253 [0,1,0,0,0,1|1,0,1]=4 2686 B13R0.493 COC(=O)CCC(=O)CCCC(C)C 1458a_100000187943_100011214892 [0,1,0,0,0,1|1,0,0]=3 2687 B13R0.493 COC(=O)CCC(=O)CCCC(C)O 1458a_100000187943_200000718107 [0,1,0,0,0,1|2,0,0]=4 2688 B13R0.493 COC(=O)CCC(=O)CCCN(C)C 1458a_100000187943_100000695564 [0,1,0,0,0,1|2,0,0]=4 2689 B13R0.493 COC(=O)CCC(=O)CCOC(C)C 1458a_100000187943_100000211751 [0,1,0,0,0,1|2,0,0]=4 2690 B13R0.493 COC(=O)CCC(=O)CCSC(C)C 1458a_100000187943_100000730970 [0,1,0,0,0,1|2,0,0]=4 2691 B13R0.493 COC(=O)CCC(=O)CNCC(C)C 2230a_100000210953_100000691467 [0,1,0,0,0,1|2,0,0]=4 2692 B13R0.493 COC(=O)CCC(=O)CNCC(C)C 34a_100000210953_100000691467 [0,1,0,0,0,1|2,0,0]=4 2693 B13R0.493 COC(=O)CCC(=O)COCC(C)C 34a_100000210257_100000691467 [0,1,0,0,0,1|2,0,0]=4 2694 B13R0.493 COC(=O)CCC(=O)CSCC(C)C 62a_100000210624_100000691467 [0,1,0,0,0,1|2,0,0]=4 2695 B13R0.493 COC(=O)CCC(=O)CSCC(C)C 62a_100000691467_100000210760 [0,1,0,0,0,1|2,0,0]=4 2696 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 11a_100000210545_100000187943 [0,1,0,0,0,1|1,0,0]=3 2697 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 1626a_100000210545_100000187943 [0,1,0,0,0,1|1,0,0]=3 2698 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 240690a_100000210545_100000187943 [0,1,0,0,0,1|1,0,0]=3 2699 B13R0.493 COC(=O)CCC(=O)NCCC(C)C 527a_100000210545_100000187943 [0,1,0,0,0,1|1,0,0]=3 2700 B13R0.493 COC(=O)CCC(=O)NCCC(C)O 240690a_200000755665_100000187943 [0,1,0,0,0,1|2,0,0]=4 2701 B13R0.493 COC(=O)CCC(=O)NCCC(C)O 527a_200000755665_100000187943 [0,1,0,0,0,1|2,0,0]=4 2702 B13R0.493 COC(=O)CCC(=O)NCCN(C)C 240690a_100000210585_100000187943 [0,1,0,0,0,1|2,0,0]=4 2703 B13R0.493 COC(=O)CCC(=O)NCCN(C)C 527a_100000210585_100000187943 [0,1,0,0,0,1|2,0,0]=4 2704 B13R0.493 COC(=O)CNC(=O)CCCC(C)C 188690a_100000185156_100011216857 [0,1,0,0,0,1|1,0,0]=3 2705 B13R0.493 COC(=O)CNC(=O)CCCC(C)O 188690a_100000185156_100000761597 [0,1,0,0,0,1|2,0,0]=4 2706 B13R0.493 COC(=O)CNC(=O)CCCN(C)C 188690a_100000185156_100000740757 [0,1,0,0,0,1|2,0,0]=4 2707 B13R0.493 COC(=O)CNC(=O)CNCC(C)C 2230a_100000210953_100000182966 [0,1,0,0,0,1|2,0,0]=4 2708 B13R0.493 COC(=O)CNC(=O)CNCC(C)C 34a_100000210953_100000182966 [0,1,0,0,0,1|2,0,0]=4 2709 B13R0.493 COC(=O)CNC(=O)COCC(C)C 188690a_100000185156_100011223364 [0,1,0,0,0,1|2,0,0]=4 2710 B13R0.493 COC(=O)CNC(=O)COCC(C)C 34a_100000210257_100000182966 [0,1,0,0,0,1|2,0,0]=4 2711 B13R0.493 COC(=O)CNC(=O)CSCC(C)C 62a_100000182966_100000210760 [0,1,0,0,0,1|2,0,0]=4 2712 B13R0.493 COC(=O)CNC(=O)CSCC(C)C 62a_100000210624_100000182966 [0,1,0,0,0,1|2,0,0]=4 2713 B13R0.493 COC(=O)NCC(=O)CCCC(C)C 1458a_100000215747_100011214892 [0,1,0,0,0,1|1,0,0]=3 2714 B13R0.493 COC(=O)NCC(=O)CCCC(C)O 1458a_100000215747_200000718107 [0,1,0,0,0,1|2,0,0]=4 2715 B13R0.493 COC(=O)NCC(=O)CCCN(C)C 1458a_100000215747_100000695564 [0,1,0,0,0,1|2,0,0]=4 2716 B13R0.493 COC(=O)NCC(=O)CCOC(C)C 1458a_100000215747_100000211751 [0,1,0,0,0,1|2,0,0]=4 2717 B13R0.493 COC(=O)NCC(=O)CCSC(C)C 1458a_100000215747_100000730970 [0,1,0,0,0,1|2,0,0]=4 2718 B13R0.493 COC(=O)NCC(=O)NCCC(C)C 11a_100000210545_100000215747 [0,1,0,0,0,1|1,0,0]=3 2719 B13R0.493 COC(=O)NCC(=O)NCCC(C)C 1626a_100000210545_100000215747 [0,1,0,0,0,1|1,0,0]=3 2720 B13R0.493 COC(=O)NCC(=O)NCCC(C)C 240690a_100000210545_100000215747 [0,1,0,0,0,1|1,0,0]=3 2721 B13R0.493 COC(=O)NCC(=O)NCCC(C)C 527a_100000210545_100000215747 [0,1,0,0,0,1|1,0,0]=3 2722 B13R0.493 COC(=O)NCC(=O)NCCC(C)O 240690a_200000755665_100000215747 [0,1,0,0,0,1|2,0,0]=4 2723 B13R0.493 COC(=O)NCC(=O)NCCC(C)O 527a_200000755665_100000215747 [0,1,0,0,0,1|2,0,0]=4 2724 B13R0.493 COC(=O)NCC(=O)NCCN(C)C 240690a_100000210585_100000215747 [0,1,0,0,0,1|2,0,0]=4 2725 B13R0.493 COC(=O)NCC(=O)NCCN(C)C 527a_100000210585_100000215747 [0,1,0,0,0,1|2,0,0]=4 2726 B13R0.493 COC(=O)NCC(=O)NNCC(C)C 22a_100000696102_100000215747 [0,1,0,0,0,1|2,0,0]=4 2727 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 11a_100000692259_200000688413 [0,1,0,0,0,1|2,0,0]=4 2728 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 1626a_100000692259_200000688413 [0,1,0,0,0,1|2,0,0]=4 2729 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 240690a_100000692259_200000688413 [0,1,0,0,0,1|2,0,0]=4 2730 B13R0.615 C=C(C)CCC(=O)NC(C)CC(C)C 527a_100000692259_200000688413 [0,1,0,0,0,1|2,0,0]=4 2731 B13R0.615 C=C(C)CNC(=O)NC(C)CC(C)C 2708a_100000692259_100000765925 [0,1,0,0,0,1|2,0,0]=4 2732 B13R0.615 C=C(C)CNC(=O)NC(C)CC(C)C 2708a_100000765925_100000692259 [0,1,0,0,0,1|2,0,0]=4 2733 B13R0.615 C=C(C)CNC(=O)NC(C)CC(C)C 273464a_100000692259_100000765925 [0,1,0,0,0,1|2,0,0]=4 2734 B13R0.615 C=C(C)CNC(=O)NC(C)CC(C)C 512a_100000692259_100000765925 [0,1,0,0,0,1|2,0,0]=4 2735 B13R0.615 C=C(C)CNC(=O)NC(C)CC(C)C 512a_100000765925_100000692259 [0,1,0,0,0,1|2,0,0]=4 2736 B13R0.615 CC(=CCC(=O)NC(C)CC(C)C)C 11a_100000692259_100011220947 [0,1,0,0,0,1|2,0,0]=4 2737 B13R0.615 CC(=CCC(=O)NC(C)CC(C)C)C 1626a_100000692259_100011220947 [0,1,0,0,0,1|2,0,0]=4 2738 B13R0.615 CC(=CCC(=O)NC(C)CC(C)C)C 240690a_100000692259_100011220947 [0,1,0,0,0,1|2,0,0]=4 2739 B13R0.615 CC(=CCC(=O)NC(C)CC(C)C)C 527a_100000692259_100011220947 [0,1,0,0,0,1|2,0,0]=4 2740 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 11a_100000692259_100000194580 [0,1,0,0,0,1|1,0,0]=3 2741 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 1626a_100000692259_100000194580 [0,1,0,0,0,1|1,0,0]=3 2742 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 240690a_100000692259_100000194580 [0,1,0,0,0,1|1,0,0]=3 2743 B13R0.615 CC(=O)NCC(=O)NC(C)CC(C)C 527a_100000692259_100000194580 [0,1,0,0,0,1|1,0,0]=3 2744 B13R0.615 CC(=O)NCC(=O)NC(C)CN(C)C 11a_100016992788_100000194580 [0,1,0,0,0,1|2,0,0]=4 2745 B13R0.615 CC(=O)NCC(=O)NC(C)CN(C)C 240690a_100016992788_100000194580 [0,1,0,0,0,1|2,0,0]=4 2746 B13R0.615 CC(=O)NCC(=O)NC(C)CN(C)C 527a_100016992788_100000194580 [0,1,0,0,0,1|2,0,0]=4 2747 B13R0.615 CC(=O)NNC(=O)NC(C)CC(C)C 273464a_100000692259_100000189765 [0,1,0,0,0,1|2,0,0]=4 2748 B13R0.615 CC(=O)NNC(=O)NC(C)CC(C)C 512a_100000189765_100000692259 [0,1,0,0,0,1|2,0,0]=4 2749 B13R0.615 CC(=O)OCC(=O)CN(C)CC(C)C 269982a_100000747067_100000036994 [0,1,0,0,0,1|2,0,0]=4 2750 B13R0.615 CC(=O)OCC(=O)NC(C)CC(C)C 1626a_100000692259_100000183556 [0,1,0,0,0,1|1,0,0]=3 2751 B13R0.615 CC(=O)OCC(=O)NC(C)CC(C)C 240690a_100000692259_100000183556 [0,1,0,0,0,1|1,0,0]=3 2752 B13R0.615 CC(=O)OCC(=O)NC(C)CC(C)C 527a_100000692259_100000183556 [0,1,0,0,0,1|1,0,0]=3 2753 B13R0.615 CC(=O)OCC(=O)NC(C)CN(C)C 240690a_100016992788_100000183556 [0,1,0,0,0,1|2,0,0]=4 2754 B13R0.615 CC(=O)OCC(=O)NC(C)CN(C)C 527a_100016992788_100000183556 [0,1,0,0,0,1|2,0,0]=4 2755 B13R0.615 CC(=O)SCC(=O)NC(C)CC(C)C 11a_100000692259_100000049016 [0,1,0,0,0,1|1,0,0]=3 2756 B13R0.615 CC(=O)SCC(=O)NC(C)CC(C)C 1626a_100000692259_100000049016 [0,1,0,0,0,1|1,0,0]=3 2757 B13R0.615 CC(=O)SCC(=O)NC(C)CC(C)C 240690a_100000692259_100000049016 [0,1,0,0,0,1|1,0,0]=3 2758 B13R0.615 CC(=O)SCC(=O)NC(C)CN(C)C 11a_100016992788_100000049016 [0,1,0,0,0,1|2,0,0]=4 2759 B13R0.615 CC(=O)SCC(=O)NC(C)CN(C)C 240690a_100016992788_100000049016 [0,1,0,0,0,1|2,0,0]=4 2760 B13R0.615 CC(C)CC(C)NC(=O)CCC(=O)N 240690a_100000692259_100011215257 [0,1,0,0,0,1|2,0,0]=4 2761 B13R0.615 CC(C)CC(C)NC(=O)CCC(=O)N 527a_100000692259_100011215257 [0,1,0,0,0,1|2,0,0]=4 2762 B13R0.615 CC(C)CC(C)NC(=O)CNC(=O)N 240690a_100000692259_100000184981 [0,1,0,0,0,1|2,0,0]=4 2763 B13R0.615 CC(C)CC(C)NC(=O)CNC(=O)N 527a_100000692259_100000184981 [0,1,0,0,0,1|2,0,0]=4 2764 B13R0.615 CC(C)CC(C)NC(=O)CSC(=O)N 240690a_100000692259_200015941356 [0,1,0,0,0,1|2,0,0]=4 2765 B13R0.615 CC(C)CC(C)NC(=O)NCC(=O)N 2708a_100000692259_100000711301 [0,1,0,0,0,1|2,0,0]=4 2766 B13R0.615 CC(C)CC(C)NC(=O)NCC(=O)N 273464a_100000692259_100000711301 [0,1,0,0,0,1|2,0,0]=4 2767 B13R0.615 CC(C)CC(C)NC(=O)NCC(=O)N 512a_100000692259_100000711301 [0,1,0,0,0,1|2,0,0]=4 2768 B13R0.1157 CC(=O)OCC(CCl)OCCC(C)C 7a_200000139349_100000210626 [0,1,0,0,0,1|1,0,1]=4 2769 B13R0.1403 C=C(C)CN(C)C(=O)CCCC(C)C 11a_100000225649_100011216857 [0,1,0,0,0,1|2,0,0]=4 2770 B13R0.1403 C=C(C)CN(C)C(=O)CCCC(C)C 1626a_100000225649_100011216857 [0,1,0,0,0,1|2,0,0]=4 2771 B13R0.1403 C=C(C)CN(C)C(=O)CCCC(C)C 527a_100000225649_100011216857 [0,1,0,0,0,1|2,0,0]=4 2772 B13R0.1403 C=C(C)CN(C)C(=O)NCCC(C)C 2708a_100000210545_100000225649 [0,1,0,0,0,1|2,0,0]=4 2773 B13R0.1403 C=C(C)CN(C)C(=O)NCCC(C)C 273464a_100000210545_100000225649 [0,1,0,0,0,1|2,0,0]=4 2774 B13R0.1403 C=C(NC(=O)C)C(=O)NCCC(C)C 240690a_100000210545_100000758921 [0,1,0,0,0,1|1,0,1]=4 2775 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCCC(C)C 1458a_100011504603_100011214892 [0,1,0,0,0,1|1,0,0]=3 2776 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCCC(C)O 1458a_100011504603_200000718107 [0,1,0,0,0,1|2,0,0]=4 2777 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCCN(C)C 1458a_100011504603_100000695564 [0,1,0,0,0,1|2,0,0]=4 2778 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCOC(C)C 1458a_100011504603_100000211751 [0,1,0,0,0,1|2,0,0]=4 2779 B13R0.1403 CC(=O)N[C@H](C)C(=O)CCSC(C)C 1458a_100011504603_100000730970 [0,1,0,0,0,1|2,0,0]=4 2780 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 11a_100000210545_100011504603 [0,1,0,0,0,1|1,0,0]=3 2781 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 1626a_100000210545_100011504603 [0,1,0,0,0,1|1,0,0]=3 2782 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 240690a_100000210545_100011504603 [0,1,0,0,0,1|1,0,0]=3 2783 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)C 527a_100000210545_100011504603 [0,1,0,0,0,1|1,0,0]=3 2784 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)O 240690a_200000755665_100011504603 [0,1,0,0,0,1|2,0,0]=4 2785 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCC(C)O 527a_200000755665_100011504603 [0,1,0,0,0,1|2,0,0]=4 2786 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCN(C)C 240690a_100000210585_100011504603 [0,1,0,0,0,1|2,0,0]=4 2787 B13R0.1403 CC(=O)N[C@H](C)C(=O)NCCN(C)C 527a_100000210585_100011504603 [0,1,0,0,0,1|2,0,0]=4 2788 B13R0.1403 CC(=O)N[C@H](C)C(=O)NNCC(C)C 22a_100000696102_100011504603 [0,1,0,0,0,1|2,0,0]=4 2789 B13R0.1403 CC(=O)OC(C)C(=O)CCCC(C)C 1458a_100011216857_100009818208 [0,1,0,0,0,1|1,0,0]=3 2790 B13R0.1403 CC(=O)OC(C)C(=O)COCC(C)C 1458a_100011223364_100009818208 [0,1,0,0,0,1|2,0,0]=4 2791 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCCC(C)C 1458a_100009816467_100011214892 [0,1,0,0,0,1|1,0,0]=3 2792 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCCC(C)O 1458a_100009816467_200000718107 [0,1,0,0,0,1|2,0,0]=4 2793 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCCN(C)C 1458a_100009816467_100000695564 [0,1,0,0,0,1|2,0,0]=4 2794 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCOC(C)C 1458a_100009816467_100000211751 [0,1,0,0,0,1|2,0,0]=4 2795 B13R0.1403 CC(=O)O[C@@H](C)C(=O)CCSC(C)C 1458a_100009816467_100000730970 [0,1,0,0,0,1|2,0,0]=4 2796 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 11a_100000210545_100009816467 [0,1,0,0,0,1|1,0,0]=3 2797 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 1626a_100000210545_100009816467 [0,1,0,0,0,1|1,0,0]=3 2798 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 240690a_100000210545_100009816467 [0,1,0,0,0,1|1,0,0]=3 2799 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)C 527a_100000210545_100009816467 [0,1,0,0,0,1|1,0,0]=3 2800 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)O 240690a_200000755665_100009816467 [0,1,0,0,0,1|2,0,0]=4 2801 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCC(C)O 527a_200000755665_100009816467 [0,1,0,0,0,1|2,0,0]=4 2802 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCN(C)C 240690a_100000210585_100009816467 [0,1,0,0,0,1|2,0,0]=4 2803 B13R0.1403 CC(=O)O[C@@H](C)C(=O)NCCN(C)C 527a_100000210585_100009816467 [0,1,0,0,0,1|2,0,0]=4 2804 B13R0.1403 CC(C)CCCC(=O)N(C)CC(=O)N 11a_100000739694_100011216857 [0,1,0,0,0,1|2,0,0]=4 2805 B13R0.1403 CC(C)CCCC(=O)N(C)CC(=O)N 527a_100000739694_100011216857 [0,1,0,0,0,1|2,0,0]=4 2806 B13R0.1403 CC(C)CCNC(=O)N(C)CC(=O)N 2708a_100000210545_100000739694 [0,1,0,0,0,1|2,0,0]=4 2807 B13R0.1403 CC(C)CCNC(=O)N(C)CC(=O)N 273464a_100000210545_100000739694 [0,1,0,0,0,1|2,0,0]=4 2808 B13R0.1403 CC(C)CCOC(=O)C(C)OC(C)C 34a_200000034679_100000210206 [0,1,0,0,0,1|1,0,1]=4 2809 B13R0.1403 CC(C)CCOC(=O)C(C)OC(C)C 7a_200000034679_100000210206 [0,1,0,0,0,1|1,0,1]=4 2810 B13R0.1426 CC(C)CCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011214892 [0,1,0,0,0,1|2,0,0]=4 2811 B13R0.1426 CC(C)CCCC(=O)CCS(=O)(=O)C 1458a_100011216857_100000731031 [0,1,0,0,0,1|2,0,0]=4 2812 B13R0.1426 CC(C)CCCC(=O)CNS(=O)(=O)C 1458a_100000737300_100011214892 [0,1,0,0,0,1|2,0,0]=4 2813 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 11a_100000210545_100000737124 [0,1,0,0,0,1|2,0,0]=4 2814 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 1626a_100000210545_100000737124 [0,1,0,0,0,1|2,0,0]=4 2815 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 240690a_100000210545_100000737124 [0,1,0,0,0,1|2,0,0]=4 2816 B13R0.1426 CC(C)CCNC(=O)CCS(=O)(=O)C 527a_100000210545_100000737124 [0,1,0,0,0,1|2,0,0]=4 2817 B13R0.1426 CC(C)CCNC(=O)CNS(=O)(=O)C 11a_100000210545_100000737300 [0,1,0,0,0,1|2,0,0]=4 2818 B13R0.1426 CC(C)CCNC(=O)CNS(=O)(=O)C 1626a_100000210545_100000737300 [0,1,0,0,0,1|2,0,0]=4 2819 B13R0.1426 CC(C)CCNC(=O)CNS(=O)(=O)C 240690a_100000210545_100000737300 [0,1,0,0,0,1|2,0,0]=4 2820 B13R0.50 CC(=O)C(C)C(=O)CCCCC(C)C 1458a_100011933920_100000179758 [0,1,0,0,0,1|1,0,0]=3 2821 B13R0.50 CC(C)CCCCC(=O)C(C)C(=O)N 1458a_100011933920_100000702099 [0,1,0,0,0,1|2,0,0]=4 2822 B13R0.50 CC(C)CCCCC(=O)C(F)C(=O)N 1458a_100011933920_100009813875 [0,1,0,0,0,1|2,0,0]=4 2823 B13R0.50 CC(C)CCCCC(=O)C(F)C(=O)[O-] 1458a_100011933920_100020610796 [0,1,0,0,0,1|2,0,0]=4 2824 B13R0.71 CCC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747405 [0,1,0,0,0,1|1,0,0]=3 2825 B13R0.71 CNC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000183359 [0,1,0,0,0,1|1,0,0]=3 2826 B13R0.71 COC(=O)CC(=O)CCCCC(C)C 1458a_100000211351_100011216152 [0,1,0,0,0,1|1,0,0]=3 2827 B13R0.71 COC(=O)CC(=O)CCCCC(C)C 1458a_100011933920_100000747449 [0,1,0,0,0,1|1,0,0]=3 2828 B13R0.71 COC(=O)CC(=O)CSCCC(C)C 62a_100000210312_100000210525 [0,1,0,0,0,1|0,1,0]=3 2829 B13R0.71 COC(=O)CC(=O)CSCCC(C)C 62a_100000210525_100000210312 [0,1,0,0,0,1|0,1,0]=3 2830 B13R0.71 COC(=O)CC(=O)CSCCC(C)O 62a_100000210525_100012276601 [0,1,0,0,0,1|1,1,0]=4 2831 B13R0.71 COC(=O)CC(=O)CSCCC(C)O 62a_100012276601_100000210525 [0,1,0,0,0,1|1,1,0]=4 2832 B13R0.71 COC(=O)CC(=O)CSCCN(C)C 62a_100000210525_100000755713 [0,1,0,0,0,1|1,1,0]=4 2833 B13R0.71 COC(=O)CC(=O)CSCOC(C)C 62a_100000210525_100000709892 [0,1,0,0,0,1|1,1,0]=4 2834 B13R0.71 COC(=O)CC(=O)CSCOC(C)C 62a_100000709892_100000210525 [0,1,0,0,0,1|1,1,0]=4 2835 B13R0.71 COC(=O)CC(=O)NCCCC(C)C 240690a_200000737386_100000211351 [0,1,0,0,0,1|1,0,0]=3 2836 B13R0.71 COC(=O)CC(=O)NCCCN(C)C 240690a_102531767803_100000211351 [0,1,0,0,0,1|2,0,0]=4 2837 B13R0.71 COC(=O)CC(=O)NCCOC(C)C 240690a_100000701111_100000211351 [0,1,0,0,0,1|1,0,0]=3 2838 B13R0.71 COC(=O)CC(=O)NCCSC(C)C 240690a_100000731138_100000211351 [0,1,0,0,0,1|1,0,0]=3 2839 B13R0.71 COC(=O)CC(=O)NNCCN(C)C 22a_100000738145_100000211351 [0,1,0,0,0,1|2,0,0]=4 2840 B13R0.71 COC(=O)CC(C)OCCCC(C)C 34a_100000210774_100009817358 [0,1,0,0,0,1|1,0,1]=4 2841 B13R0.71 COC(=O)CC(C)OCCCC(C)C 7a_100000210774_100009817358 [0,1,0,0,0,1|1,0,1]=4 2842 B13R0.71 COC(=O)CC(C)OCCNC(C)C 34a_100000224655_100009817358 [0,1,0,0,0,1|1,0,1]=4 2843 B13R0.71 COC(=O)CC(C)OCCOC(C)C 34a_100000211219_100009817358 [0,1,0,0,0,1|1,0,1]=4 2844 B13R0.71 COC(=O)CC(C)OCCOC(C)C 7a_100000211219_100009817358 [0,1,0,0,0,1|1,0,1]=4 2845 B13R0.71 COC(=O)CC(C)OCCSC(C)C 34a_200011212901_100009817358 [0,1,0,0,0,1|1,0,1]=4 2846 B13R0.71 COC(=O)CC(C)OCCSC(C)C 7a_200011212901_100009817358 [0,1,0,0,0,1|1,0,1]=4 2847 B13R0.71 COC(=O)C[C@@H](O)COCCC(C)C 34a_100000210254_100000754131 [0,1,0,0,0,1|0,0,2]=4 2848 B13R0.71 COC(=O)C[C@@H](O)COCCC(C)C 7a_100000210254_100000754131 [0,1,0,0,0,1|0,0,2]=4 2849 B13R0.71 COC(=O)NC(=O)CSCCC(C)C 62a_100000210312_100000010850 [0,1,0,0,0,1|1,1,0]=4 2850 B13R0.76 CC(=O)NC(=O)COC(C)CC(C)C 7a_100000211805_100000183797 [0,1,0,0,0,1|1,0,0]=3 2851 B13R0.76 CC(=O)NC(=O)CSC(C)CC(C)C 62a_100000731052_100000183797 [0,1,0,0,0,1|1,1,0]=4 2852 B13R0.76 CC(C)CC(C)OCC(=O)NC(=O)N 7a_100000211805_100000182717 [0,1,0,0,0,1|2,0,0]=4 2853 B13R0.78 C=C(C)C(=O)CCOC(=O)CC(=O)C 1458a_100000185857_100000102702 [0,1,0,0,0,1|0,0,2]=4 2854 B13R0.78 CC(=O)CC(=O)OCCC(=O)C(C)C 1458a_100000210198_100000102702 [0,1,0,0,0,1|0,0,0]=2 2855 B13R0.78 CC(=O)CC(=O)OCCC(=O)C(C)F 1458a_100000062450_100000102702 [0,1,0,0,0,1|1,0,0]=3 2856 B13R0.78 CC(=O)CC(=O)OCCC(=O)C(O)O 1458a_100000233687_100000102702 [0,1,0,0,0,1|2,0,0]=4 2857 B13R0.78 CC(=O)CC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000102702 [0,1,0,0,0,1|1,0,0]=3 2858 B13R0.78 CC(=O)CC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100000102702 [0,1,0,0,0,1|1,0,0]=3 2859 B13R0.78 CC(=O)CC(=O)OCCN(C)C(C)C 269982a_200000211004_100000102702 [0,1,0,0,0,1|0,0,0]=2 2860 B13R0.78 CC(C)C(=O)CCOC(=O)NC(=O)N 1458a_100000210198_100000054987 [0,1,0,0,0,1|2,0,0]=4 2861 B13R0.78 CC(C)N(C)CCNC(=O)CC(=O)N 240690a_100000749581_100134613110 [0,1,0,0,0,1|2,0,0]=4 2862 B13R0.78 CC(C)N(C)CCNC(=O)CC(=O)N 527a_100000749581_100134613110 [0,1,0,0,0,1|2,0,0]=4 2863 B13R0.78 CC(C)N(C)CCOC(=O)NC(=O)N 269982a_200000211004_100000054987 [0,1,0,0,0,1|2,0,0]=4 2864 B13R0.79 CC(=O)CC(=O)OCCOC(C)(C)C 34a_100015890283_100000102702 [0,1,0,0,0,1|0,0,0]=2 2865 B13R0.79 CC(=O)CC(=O)OCCSC(C)(C)C 62a_100000102702_100000211941 [0,1,0,0,0,1|0,0,0]=2 2866 B13R0.79 CC(=O)CC(=O)OCCSC(C)(C)C 62a_100000211941_100000102702 [0,1,0,0,0,1|0,0,0]=2 2867 B13R0.79 CC(=O)CC(=O)OCCSC(F)(F)F 62a_100000102702_200103152311 [0,1,0,0,0,1|2,0,0]=4 2868 B13R0.79 CC(=O)CC(=O)OCCSC(F)(F)F 62a_200000243211_100000102702 [0,1,0,0,0,1|2,0,0]=4 2869 B13R0.79 CC(=O)NC(=O)COCCC(C)(C)C 7a_100000765024_100000183797 [0,1,0,0,0,1|1,0,0]=3 2870 B13R0.79 CC(=O)NC(=O)COCC[N+](C)(C)C 7a_200020618287_100000183797 [0,1,0,0,0,1|2,0,0]=4 2871 B13R0.79 CC(=O)NC(=O)COCC[Si](C)(C)C 7a_100000039746_100000183797 [0,1,0,0,0,1|1,1,0]=4 2872 B13R0.79 CC(=O)NC(=O)CSCCC(C)(C)C 62a_100000755188_100000183797 [0,1,0,0,0,1|1,1,0]=4 2873 B13R0.79 CC(=O)NC(=O)CSCCC(C)(C)O 62a_100000702414_100000183797 [0,1,0,0,0,1|1,1,0]=4 2874 B13R0.79 CC(C)(C)CCOCC(=O)NC(=O)N 7a_100000765024_100000182717 [0,1,0,0,0,1|2,0,0]=4 2875 B13R0.79 CC(C)(C)OCCNC(=O)CC(=O)N 240690a_100000747557_100134613110 [0,1,0,0,0,1|2,0,0]=4 2876 B13R0.79 CC(C)(C)OCCNC(=O)CC(=O)N 527a_100000747557_100134613110 [0,1,0,0,0,1|2,0,0]=4 2877 B13R0.79 CC(C)(C)SCCNC(=O)CC(=O)N 240690a_100000689375_100134613110 [0,1,0,0,0,1|2,0,0]=4 2878 B13R0.79 CC(C)(C)SCCNC(=O)CC(=O)N 527a_100000689375_100134613110 [0,1,0,0,0,1|2,0,0]=4 2879 B13R0.79 CC(C)(C)SCCOC(=O)NC(=O)N 62a_100000211941_100000054987 [0,1,0,0,0,1|2,0,0]=4 2880 B13R0.79 C[Si](C)(C)CCOCC(=O)CC(=O)N 1458a_100134613110_100000032501 [0,1,0,0,0,1|1,1,0]=4 2881 B13R0.198 C#CC(C)NCCOC(=O)CC(=O)C 34a_100000707721_100000102702 [0,1,0,0,0,1|0,0,1]=3 2882 B13R0.198 C#CC(C)SCCOC(=O)CC(=O)C 62a_200000035995_100000102702 [0,1,0,0,0,1|0,0,1]=3 2883 B13R0.198 C#C[C@@H](C)OCCOC(=O)CC(=O)C 34a_100009815206_100000102702 [0,1,0,0,0,1|0,0,1]=3 2884 B13R0.198 C=CC(C)OCCOC(=O)CC(=O)C 34a_100000695699_100000102702 [0,1,0,0,0,1|0,0,1]=3 2885 B13R0.198 C=CC(C)SCCOC(=O)CC(=O)C 62a_100011215867_100000102702 [0,1,0,0,0,1|0,0,1]=3 2886 B13R0.198 CC(=O)CC(=O)OCCOC(C)C#N 34a_100011218135_100000102702 [0,1,0,0,0,1|0,0,1]=3 2887 B13R0.198 CC(=O)CC(=O)OCCOC(C)CF 34a_100016041109_100000102702 [0,1,0,0,0,1|0,0,0]=2 2888 B13R0.198 CC(=O)CC(=O)OCCOC(C)CN 34a_100000210904_100000102702 [0,1,0,0,0,1|0,0,0]=2 2889 B13R0.198 CC(=O)CC(=O)OCCSC(C)C#N 62a_100000102702_100000703298 [0,1,0,0,0,1|0,0,1]=3 2890 B13R0.198 CC(=O)CC(=O)OCCSC(C)C#N 62a_100000703298_100000102702 [0,1,0,0,0,1|0,0,1]=3 2891 B13R0.198 CC(=O)CC(=O)OCCSC(C)CO 62a_100012180447_100000102702 [0,1,0,0,0,1|0,0,0]=2 2892 B13R0.198 CC(=O)CC(=O)OCCSC(F)C#N 62a_100000102702_200000117898 [0,1,0,0,0,1|1,0,1]=4 2893 B13R0.198 CC(=O)CC(=O)OCCSC(F)C#N 62a_200000117898_100000102702 [0,1,0,0,0,1|1,0,1]=4 2894 B13R0.198 CC(=O)CC(=O)OCCS[C@H](C)CO 62a_100000102702_100016084084 [0,1,0,0,0,1|0,0,0]=2 2895 B13R0.198 CC(=O)CC(=O)OCCS[C@H](C)CO 62a_100016084084_100000102702 [0,1,0,0,0,1|0,0,0]=2 2896 B13R0.198 CC(CO)SCCOC(=O)NC(=O)N 62a_100012180447_100000054987 [0,1,0,0,0,1|2,0,0]=4 2897 B13R0.198 CCC(C)CCOCC(=O)NC(=O)C 7a_100011215188_100000183797 [0,1,0,0,0,1|1,0,0]=3 2898 B13R0.198 CCC(C)CCOCC(=O)NC(=O)N 7a_100011215188_100000182717 [0,1,0,0,0,1|2,0,0]=4 2899 B13R0.198 CCC(C)SCCOC(=O)CC(=O)C 62a_100000102702_100000758301 [0,1,0,0,0,1|0,0,0]=2 2900 B13R0.198 CCC(C)SCCOC(=O)CC(=O)C 62a_100000758301_100000102702 [0,1,0,0,0,1|0,0,0]=2 2901 B13R0.198 CCC(C)SCCOC(=O)NC(=O)N 62a_100000758301_100000054987 [0,1,0,0,0,1|2,0,0]=4 2902 B13R0.198 COC(C)CCOCC(=O)NC(=O)C 7a_100000764861_100000183797 [0,1,0,0,0,1|1,0,0]=3 2903 B13R0.198 COC(C)CCOCC(=O)NC(=O)N 7a_100000764861_100000182717 [0,1,0,0,0,1|2,0,0]=4 2904 B13R0.198 COC(C)SCCOC(=O)CC(=O)C 62a_100000102702_100009879195 [0,1,0,0,0,1|0,0,0]=2 2905 B13R0.198 COC(C)SCCOC(=O)CC(=O)C 62a_100009879195_100000102702 [0,1,0,0,0,1|0,0,0]=2 2906 B13R0.198 COC(C)SCCOC(=O)NC(=O)N 62a_100009879195_100000054987 [0,1,0,0,0,1|2,0,0]=4 2907 B13R0.198 C[C@H](CO)SCCOC(=O)NC(=O)N 62a_100016084084_100000054987 [0,1,0,0,0,1|2,0,0]=4 2908 B13R0.445 CC(C)CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100011216152 [0,1,0,0,0,1|2,0,0]=4 2909 B13R0.445 CC(C)CCCNC(=O)CS(=O)(=O)C 11a_200000737386_100000744497 [0,1,0,0,0,1|2,0,0]=4 2910 B13R0.445 CC(C)CCCNC(=O)CS(=O)(=O)C 240690a_200000737386_100000744497 [0,1,0,0,0,1|2,0,0]=4 2911 B13R0.445 CC(C)CCCNC(=O)CS(=O)(=O)C 527a_200000737386_100000744497 [0,1,0,0,0,1|2,0,0]=4 2912 B13R0.445 CC(C)CCOCC(=O)NS(=O)(=O)C 7a_100000210254_100009907230 [0,1,0,0,0,1|2,0,0]=4 2913 B13R0.445 CC(C)CNCOC(=O)CC(C)(C)C 2230a_100000210953_200010999194 [0,1,0,0,0,1|1,0,1]=4 2914 B13R0.445 CC(C)CNCOC(=O)CC(C)(C)C 34a_100000210953_200010999194 [0,1,0,0,0,1|1,0,1]=4 2915 B13R0.445 CC(C)COCOC(=O)CC(C)(C)C 34a_100000210257_200010999194 [0,1,0,0,0,1|1,0,1]=4 2916 B13R0.445 CC(C)CSCOC(=O)CC(C)(C)C 62a_100000210624_200010999194 [0,1,0,0,0,1|1,0,1]=4 2917 B13R0.445 CC(C)CSCOC(=O)CC(C)(C)C 62a_200010999194_100000210760 [0,1,0,0,0,1|1,0,1]=4 2918 B13R0.445 CC(C)OCCNC(=O)CS(=O)(=O)C 11a_100000701111_100000744497 [0,1,0,0,0,1|2,0,0]=4 2919 B13R0.445 CC(C)OCCNC(=O)CS(=O)(=O)C 240690a_100000701111_100000744497 [0,1,0,0,0,1|2,0,0]=4 2920 B13R0.445 CC(C)OCCNC(=O)CS(=O)(=O)C 527a_100000701111_100000744497 [0,1,0,0,0,1|2,0,0]=4 2921 B13R0.445 CC(C)SCCNC(=O)CS(=O)(=O)C 11a_100000731138_100000744497 [0,1,0,0,0,1|2,0,0]=4 2922 B13R0.445 CC(C)SCCNC(=O)CS(=O)(=O)C 240690a_100000731138_100000744497 [0,1,0,0,0,1|2,0,0]=4 2923 B13R0.445 CC(C)SCCNC(=O)CS(=O)(=O)C 527a_100000731138_100000744497 [0,1,0,0,0,1|2,0,0]=4 2924 B13R0.821 CC(=O)CC(C)(C)OCCCC(C)C 7a_100000210262_100011214892 [0,1,0,0,0,1|1,0,1]=4 2925 B13R0.821 CC(=O)CC(C)(C)OCCOC(C)C 7a_100000210262_100000211751 [0,1,0,0,0,1|1,0,1]=4 2926 B13R0.821 CC(=O)CC(C)(C)OCCSC(C)C 7a_100000210262_100000730970 [0,1,0,0,0,1|1,0,1]=4 2927 B13R0.82 C=C(C)CC(=O)CC(C)CC(C)(C)C 1458a_100000239893_100000748629 [0,2,0,0,0,0|2,0,0]=4 2928 B13R0.82 CC(C)CC(C)NC(=O)CS(=O)(=O)C 11a_100000692259_100000744497 [0,2,0,0,0,0|2,0,0]=4 2929 B13R0.82 CC(C)CC(C)NC(=O)CS(=O)(=O)C 240690a_100000692259_100000744497 [0,2,0,0,0,0|2,0,0]=4 2930 B13R0.82 CC(C)CC(C)NC(=O)CS(=O)(=O)C 527a_100000692259_100000744497 [0,2,0,0,0,0|2,0,0]=4 2931 B13R0.82 CC(CC(=O)CC(=O)N)CC(C)(C)C 1458a_100000239893_100000187820 [0,2,0,0,0,0|2,0,0]=4 2932 B13R0.82 CC(CC(=O)CC(=O)[O-])CC(C)(C)C 1458a_100000239893_100020667443 [0,2,0,0,0,0|2,0,0]=4 2933 B13R0.82 C[C@@H](CC(C)(C)C)NC(=O)CC(=O)N 240690a_106358413534_100134613110 [0,2,0,0,0,0|2,0,0]=4 2934 B13R0.82 C[C@@H](CC(C)(C)C)NC(=O)CC(=O)N 527a_106358413534_100134613110 [0,2,0,0,0,0|2,0,0]=4 2935 B13R0.334 CCC(C)CC(C)NC(=O)CC(=O)N 240690a_100000763565_100134613110 [0,2,0,0,0,0|2,0,0]=4 2936 B13R0.334 CCC(C)CC(C)NC(=O)CC(=O)N 527a_100000763565_100134613110 [0,2,0,0,0,0|2,0,0]=4 2937 B13R0.334 COC(=O)CC(=O)NC(C)CC(C)C 240690a_100000692259_100000211351 [0,2,0,0,0,0|1,0,0]=3 2938 B13R0.334 COC(=O)CC(=O)NC(C)CN(C)C 240690a_100016992788_100000211351 [0,2,0,0,0,0|2,0,0]=4 2939 B13R0.334 COC(=O)CC(C)OC(C)CC(C)C 34a_100000211805_100009817358 [0,2,0,0,0,0|1,0,1]=4 2940 B13R0.334 COC(=O)CC(C)OC(C)CC(C)C 7a_100000211805_100009817358 [0,2,0,0,0,0|1,0,1]=4 2941 B13R0.726 CC(=O)CC(C)(C)OC(C)CC(C)C 7a_100000210262_100000731052 [0,2,0,0,0,0|1,0,1]=4 2942 B13R0.726 CC(C)CC(C)(C)NC(=O)CC(=O)N 240690a_100011346068_100134613110 [0,2,0,0,0,0|2,0,0]=4 2943 B13R0.726 CC(C)CC(C)(C)NC(=O)CC(=O)N 527a_100011346068_100134613110 [0,2,0,0,0,0|2,0,0]=4 2944 B13R0.1242 CC(C)CC(C#N)NC(=O)CC(=O)N 240690a_100000741378_100134613110 [0,2,0,0,0,0|2,0,0]=4 2945 B13R0.1242 CC(C)CC(C#N)NC(=O)CC(=O)N 527a_100000741378_100134613110 [0,2,0,0,0,0|2,0,0]=4 2946 B13R0.1242 CC(C)C[C@@H](CO)NC(=O)CC(=O)N 240690a_100011830311_100134613110 [0,2,0,0,0,0|2,0,0]=4 2947 B13R0.1242 CC(C)C[C@@H](CO)NC(=O)CC(=O)N 527a_100011830311_100134613110 [0,2,0,0,0,0|2,0,0]=4 2948 B13R0.1268 CC(C)CC(C)N(C)C(=O)CC(=O)N 240690a_100000745462_100134613110 [0,2,0,0,0,0|2,0,0]=4 2949 B13R0.1268 CC(C)CC(C)N(C)C(=O)CC(=O)N 527a_100000745462_100134613110 [0,2,0,0,0,0|2,0,0]=4 2950 B13R0.75 CCC(=O)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000747405 [0,2,0,0,0,0|2,0,0]=4 2951 B13R0.75 CNC(=O)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000183359 [0,2,0,0,0,0|2,0,0]=4 2952 B13R0.75 COC(=O)CC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000747449 [0,2,0,0,0,0|2,0,0]=4 2953 B13R0.75 COC(=O)CC(=O)CCC[N+](C)(C)C 1458a_100000211351_100016990835 [0,2,0,0,0,0|2,0,0]=4 2954 B13R0.75 COC(=O)CC(=O)CCC[Si](C)(C)C 1458a_100000211351_100011219597 [0,2,0,0,0,0|1,1,0]=4 2955 B13R0.75 COC(=O)CC(=O)CSCC(C)(C)C 62a_100000210525_100011219605 [0,2,0,0,0,0|2,0,0]=4 2956 B13R0.75 COC(=O)CC(=O)CSCC(C)(C)C 62a_100011219605_100000210525 [0,2,0,0,0,0|2,0,0]=4 2957 B13R0.75 COC(=O)CC(=O)CSCC(C)(C)F 62a_100000210525_100011997219 [0,2,0,0,0,0|2,0,0]=4 2958 B13R0.75 COC(=O)CC(=O)CSCC(C)(C)F 62a_100011997219_100000210525 [0,2,0,0,0,0|2,0,0]=4 2959 B13R0.75 COC(=O)CC(=O)CSCC(C)(C)O 62a_100000210525_100000764493 [0,2,0,0,0,0|2,0,0]=4 2960 B13R0.75 COC(=O)CC(=O)CSCC(C)(C)O 62a_100000764493_100000210525 [0,2,0,0,0,0|2,0,0]=4 2961 B13R0.75 COC(=O)CC(=O)NCCC(C)(C)C 240690a_100000738805_100000211351 [0,2,0,0,0,0|1,0,0]=3 2962 B13R0.75 COC(=O)CC(=O)NCCC(C)(C)F 240690a_100016253952_100000211351 [0,2,0,0,0,0|1,0,0]=3 2963 B13R0.75 COC(=O)CC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000211351 [0,2,0,0,0,0|2,0,0]=4 2964 B13R0.75 COC(=O)CC(C)OCCC(C)(C)C 7a_100000765024_100009817358 [0,2,0,0,0,0|1,0,1]=4 2965 B13R0.290 CC(C)(C#N)CCCC(=O)CC(=O)N 1458a_100134613110_100000759902 [0,2,0,0,0,0|2,0,0]=4 2966 B13R0.416 CC(C)(O)[C@H](F)CNC(=O)CC(=O)N 527a_100015379105_100134613110 [0,2,0,0,0,0|2,0,0]=4 2967 B13R0.486 CC(=O)CC(C)(C)OCCC(C)(C)C 7a_100000210262_100000755188 [0,2,0,0,0,0|1,0,1]=4 2968 B13R0.486 CC(=O)CC(C)(C)OCCC(C)(C)O 7a_100000210262_100000702414 [0,2,0,0,0,0|1,0,1]=4 2969 B13R0.1235 CC(=O)C(C)C(=O)CCC[N+](C)(C)C 1458a_100000085584_100000179758 [0,2,0,0,0,0|2,0,0]=4 2970 B13R0.1987 CC(C)(C)CCNC(=O)CS(=O)(=O)C 11a_100000738805_100000744497 [0,2,0,0,0,0|2,0,0]=4 2971 B13R0.1987 CC(C)(C)CCNC(=O)CS(=O)(=O)C 240690a_100000738805_100000744497 [0,2,0,0,0,0|2,0,0]=4 2972 B13R0.1987 CC(C)(C)CCNC(=O)CS(=O)(=O)C 527a_100000738805_100000744497 [0,2,0,0,0,0|2,0,0]=4 2973 B13R0.1987 CC(C)(F)CCNC(=O)CS(=O)(=O)C 11a_100016253952_100000744497 [0,2,0,0,0,0|2,0,0]=4 2974 B13R0.1987 CC(C)(F)CCNC(=O)CS(=O)(=O)C 240690a_100016253952_100000744497 [0,2,0,0,0,0|2,0,0]=4 2975 B13R0.1987 CC(C)(F)CCNC(=O)CS(=O)(=O)C 527a_100016253952_100000744497 [0,2,0,0,0,0|2,0,0]=4 2976 B13R0.1987 CC(C)(O)CCNC(=O)CS(=O)(=O)C 527a_100000707701_100000744497 [0,2,0,0,0,0|2,0,0]=4 2977 B13R0.9 CC(CO)CCNC(=O)CS(=O)(=O)C 240690a_106354213184_100000744497 [0,2,0,0,0,0|2,0,0]=4 2978 B13R0.9 CC(CO)CCNC(=O)CS(=O)(=O)C 527a_106354213184_100000744497 [0,2,0,0,0,0|2,0,0]=4 2979 B13R0.9 CCC(C)CCNC(=O)CS(=O)(=O)C 11a_100020591266_100000744497 [0,2,0,0,0,0|2,0,0]=4 2980 B13R0.9 CCC(C)CCNC(=O)CS(=O)(=O)C 240690a_100020591266_100000744497 [0,2,0,0,0,0|2,0,0]=4 2981 B13R0.9 CCC(C)CCNC(=O)CS(=O)(=O)C 527a_100020591266_100000744497 [0,2,0,0,0,0|2,0,0]=4 2982 B13R0.356 CC(C)C(O)CNC(=O)CS(=O)(=O)C 11a_100000759067_100000744497 [0,2,0,0,0,0|2,0,0]=4 2983 B13R0.356 CC(C)C(O)CNC(=O)CS(=O)(=O)C 240690a_100000759067_100000744497 [0,2,0,0,0,0|2,0,0]=4 2984 B13R0.356 CC(C)C(O)CNC(=O)CS(=O)(=O)C 527a_100000759067_100000744497 [0,2,0,0,0,0|2,0,0]=4 2985 B13R0.619 CC(C)CCC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100011261404 [0,2,0,0,0,0|2,0,0]=4 2986 B13R0.619 CC(C)CCN(C)C(=O)CS(=O)(=O)C 11a_100000742789_100000744497 [0,2,0,0,0,0|2,0,0]=4 2987 B13R0.619 CC(C)CCN(C)C(=O)CS(=O)(=O)C 240690a_100000742789_100000744497 [0,2,0,0,0,0|2,0,0]=4 2988 B13R0.619 CC(C)CCN(C)C(=O)CS(=O)(=O)C 527a_100000742789_100000744497 [0,2,0,0,0,0|2,0,0]=4 2989 B13R0.985 CCS(=O)(=O)CC(=O)CCCC(C)C 1458a_100000744335_100011214892 [0,2,0,0,0,0|2,0,0]=4 2990 B13R0.985 CCS(=O)(=O)CC(=O)NCCC(C)C 11a_100000210545_100000744335 [0,2,0,0,0,0|2,0,0]=4 2991 B13R0.985 CCS(=O)(=O)CC(=O)NCCC(C)C 1626a_100000210545_100000744335 [0,2,0,0,0,0|2,0,0]=4 2992 B13R0.985 CCS(=O)(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000744335 [0,2,0,0,0,0|2,0,0]=4 2993 B13R0.985 CCS(=O)(=O)CC(=O)NCCC(C)C 527a_100000210545_100000744335 [0,2,0,0,0,0|2,0,0]=4 2994 B13R0.73 CCC(=O)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000747405 [0,2,0,0,0,0|2,0,0]=4 2995 B13R0.73 CNC(=O)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000183359 [0,2,0,0,0,0|2,0,0]=4 2996 B13R0.73 COC(=O)CC(=O)C(=O)NCC(C)C 1458a_200011297155_100000747449 [0,2,0,0,0,0|2,0,0]=4 2997 B13R0.73 COC(=O)CC(=O)C(C)CCC(C)C 1458a_100000211351_100011261404 [0,2,0,0,0,0|1,0,0]=3 2998 B13R0.73 COC(=O)CC(=O)C(C)SCC(C)C 62a_100000210624_100009997173 [0,2,0,0,0,0|2,0,0]=4 2999 B13R0.73 COC(=O)CC(=O)C(C)SCC(C)C 62a_100009997173_100000210760 [0,2,0,0,0,0|2,0,0]=4 3000 B13R0.73 COC(=O)CC(=O)N(C)CCC(C)C 240690a_100000742789_100000211351 [0,2,0,0,0,0|1,0,0]=3 3001 B13R0.73 COC(=O)CC(=O)N(C)CCN(C)C 240690a_100000225618_100000211351 [0,2,0,0,0,0|2,0,0]=4 3002 B13R0.207 CC[C@@H](CC(=O)OC)OCCC(C)C 7a_200015357724_100000210626 [0,2,0,0,0,0|1,0,1]=4 3003 B13R0.207 COC(=O)C[C@H](CCl)OCCC(C)C 7a_100000754131_100000210626 [0,2,0,0,0,0|1,0,1]=4 3004 B13R0.249 CCC(=O)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000747405 [0,2,0,0,0,0|2,0,0]=4 3005 B13R0.249 CNC(=O)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000183359 [0,2,0,0,0,0|2,0,0]=4 3006 B13R0.249 COC(=O)CC(=O)CCN(C)C(C)C 1458a_100015184040_100000747449 [0,2,0,0,0,0|2,0,0]=4 3007 B13R0.249 COC(=O)CC(=O)NCC(O)C(C)C 240690a_100000759067_100000211351 [0,2,0,0,0,0|1,0,0]=3 3008 B13R0.249 COC(=O)CC(C)OC[C@H](N)C(C)C 34a_100011830312_100009817358 [0,2,0,0,0,0|1,0,1]=4 3009 B13R0.255 C#CC(=O)C(C)C(=O)NCCC(C)C 1458a_100000211873_100000735922 [0,2,0,0,0,0|1,0,1]=4 3010 B13R0.255 C=CC(=O)C(C)C(=O)NCCC(C)C 1458a_100000185746_100000735922 [0,2,0,0,0,0|1,0,1]=4 3011 B13R0.255 CC(C)CCNC(=O)C(C)C(=O)CO 1458a_100000210174_100000735922 [0,2,0,0,0,0|1,0,0]=3 3012 B13R0.255 CCC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000742827 [0,2,0,0,0,0|1,0,0]=3 3013 B13R0.255 CCC(=O)C(C)C(=O)COCC(C)C 1458a_100011223364_100000742827 [0,2,0,0,0,0|2,0,0]=4 3014 B13R0.255 CCC(=O)C(C)C(=O)NCCC(C)C 1458a_100000210414_100000735922 [0,2,0,0,0,0|1,0,0]=3 3015 B13R0.255 CNC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000209862 [0,2,0,0,0,0|1,0,0]=3 3016 B13R0.255 CNC(=O)C(C)C(=O)COCC(C)C 1458a_100011223364_100000209862 [0,2,0,0,0,0|2,0,0]=4 3017 B13R0.255 CNC(=O)C(F)C(=O)CCCC(C)C 1458a_100011216857_100009813575 [0,2,0,0,0,0|1,0,0]=3 3018 B13R0.255 CNC(=O)C(F)C(=O)COCC(C)C 1458a_100011223364_100009813575 [0,2,0,0,0,0|2,0,0]=4 3019 B13R0.255 CNC(=O)[C@@H](N)[C@@H](C)OCCC(C)C 34a_100102634413_100000210312 [0,2,0,0,0,0|1,0,1]=4 3020 B13R0.255 COC(=O)C(C)C(=O)CCCC(C)C 1458a_100011216857_100000211248 [0,2,0,0,0,0|1,0,0]=3 3021 B13R0.255 COC(=O)C(C)C(=O)CCCC(C)C 1458a_100012027023_100011214892 [0,2,0,0,0,0|1,0,0]=3 3022 B13R0.255 COC(=O)C(C)C(=O)CCCC(C)O 1458a_100012027023_200000718107 [0,2,0,0,0,0|2,0,0]=4 3023 B13R0.255 COC(=O)C(C)C(=O)CCCN(C)C 1458a_100012027023_100000695564 [0,2,0,0,0,0|2,0,0]=4 3024 B13R0.255 COC(=O)C(C)C(=O)CCOC(C)C 1458a_100012027023_100000211751 [0,2,0,0,0,0|2,0,0]=4 3025 B13R0.255 COC(=O)C(C)C(=O)CCSC(C)C 1458a_100012027023_100000730970 [0,2,0,0,0,0|2,0,0]=4 3026 B13R0.255 COC(=O)C(C)C(=O)COCC(C)C 1458a_100011223364_100000211248 [0,2,0,0,0,0|2,0,0]=4 3027 B13R0.255 COC(=O)C(C)C(=O)NCCC(C)C 11a_100000210545_100012027023 [0,2,0,0,0,0|1,0,0]=3 3028 B13R0.255 COC(=O)C(C)C(=O)NCCC(C)C 1626a_100000210545_100012027023 [0,2,0,0,0,0|1,0,0]=3 3029 B13R0.255 COC(=O)C(C)C(=O)NCCC(C)C 240690a_100000210545_100012027023 [0,2,0,0,0,0|1,0,0]=3 3030 B13R0.255 COC(=O)C(C)C(=O)NCCC(C)C 527a_100000210545_100012027023 [0,2,0,0,0,0|1,0,0]=3 3031 B13R0.255 COC(=O)C(C)C(=O)NCCC(C)O 240690a_200000755665_100012027023 [0,2,0,0,0,0|2,0,0]=4 3032 B13R0.255 COC(=O)C(C)C(=O)NCCC(C)O 527a_200000755665_100012027023 [0,2,0,0,0,0|2,0,0]=4 3033 B13R0.255 COC(=O)C(C)C(=O)NCCN(C)C 240690a_100000210585_100012027023 [0,2,0,0,0,0|2,0,0]=4 3034 B13R0.255 COC(=O)C(C)C(=O)NCCN(C)C 527a_100000210585_100012027023 [0,2,0,0,0,0|2,0,0]=4 3035 B13R0.255 COC(=O)C(C)C(=O)NNCC(C)C 22a_100000696102_100012027023 [0,2,0,0,0,0|2,0,0]=4 3036 B13R0.255 COC(=O)[C@@H](N)[C@@H](C)OCCC(C)C 34a_100000004424_100000210312 [0,2,0,0,0,0|1,0,1]=4 3037 B13R0.331 C=C(CCC)CC(=O)CCCC(C)C 1458a_100000138376_100011214892 [0,2,0,0,0,0|2,0,0]=4 3038 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 11a_100000210545_100000138376 [0,2,0,0,0,0|2,0,0]=4 3039 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 240690a_100000210545_100000138376 [0,2,0,0,0,0|2,0,0]=4 3040 B13R0.331 C=C(CCC)CC(=O)NCCC(C)C 527a_100000210545_100000138376 [0,2,0,0,0,0|2,0,0]=4 3041 B13R0.331 C=COC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000036128 [0,2,0,0,0,0|1,0,1]=4 3042 B13R0.331 CC(C)CCCC(=O)CC(=O)NCO 1458a_100011216857_100000185155 [0,2,0,0,0,0|1,0,0]=3 3043 B13R0.331 CC(C)COCC(=O)CC(=O)NCO 1458a_100011223364_100000185155 [0,2,0,0,0,0|2,0,0]=4 3044 B13R0.331 CCCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747444 [0,2,0,0,0,0|1,0,0]=3 3045 B13R0.331 CCCC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000747444 [0,2,0,0,0,0|2,0,0]=4 3046 B13R0.331 CCCS(=O)CC(=O)CCCC(C)C 1458a_100011387404_100011214892 [0,2,0,0,0,0|2,0,0]=4 3047 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 11a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 3048 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 1626a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 3049 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 240690a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 3050 B13R0.331 CCCS(=O)CC(=O)NCCC(C)C 527a_100000210545_100011387404 [0,2,0,0,0,0|2,0,0]=4 3051 B13R0.331 CCNC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000183381 [0,2,0,0,0,0|1,0,0]=3 3052 B13R0.331 CCNC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000183381 [0,2,0,0,0,0|2,0,0]=4 3053 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100000243816_100011214892 [0,2,0,0,0,0|1,0,0]=3 3054 B13R0.331 CCOC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000188475 [0,2,0,0,0,0|1,0,0]=3 3055 B13R0.331 CCOC(=O)CC(=O)CCCC(C)O 1458a_100000243816_200000718107 [0,2,0,0,0,0|2,0,0]=4 3056 B13R0.331 CCOC(=O)CC(=O)CCCN(C)C 1458a_100000243816_100000695564 [0,2,0,0,0,0|2,0,0]=4 3057 B13R0.331 CCOC(=O)CC(=O)CCOC(C)C 1458a_100000243816_100000211751 [0,2,0,0,0,0|2,0,0]=4 3058 B13R0.331 CCOC(=O)CC(=O)CCSC(C)C 1458a_100000243816_100000730970 [0,2,0,0,0,0|2,0,0]=4 3059 B13R0.331 CCOC(=O)CC(=O)COCC(C)C 1458a_100011223364_100000188475 [0,2,0,0,0,0|2,0,0]=4 3060 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210311_100000210760 [0,2,0,0,0,0|2,0,0]=4 3061 B13R0.331 CCOC(=O)CC(=O)CSCC(C)C 62a_100000210624_100000210311 [0,2,0,0,0,0|2,0,0]=4 3062 B13R0.331 CCOC(=O)CC(=O)NCCC(C)C 240690a_100000210545_100000243816 [0,2,0,0,0,0|1,0,0]=3 3063 B13R0.331 CCOC(=O)CC(=O)NCCC(C)O 240690a_200000755665_100000243816 [0,2,0,0,0,0|2,0,0]=4 3064 B13R0.331 CCOC(=O)CC(=O)NCCN(C)C 240690a_100000210585_100000243816 [0,2,0,0,0,0|2,0,0]=4 3065 B13R0.331 CCOC(=O)CC(=O)NNCC(C)C 22a_100000696102_100000243816 [0,2,0,0,0,0|2,0,0]=4 3066 B13R0.331 CCOC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817359 [0,2,0,0,0,0|1,0,1]=4 3067 B13R0.331 CCOC(=O)C[C@@H](C)OCCC(C)C 7a_100009816390_100000210626 [0,2,0,0,0,0|1,0,1]=4 3068 B13R0.429 CCC(C)CCNC(=O)CC(=O)OC 240690a_100020591266_100000211351 [0,2,0,0,0,0|1,0,0]=3 3069 B13R0.429 CCC(C)CCOC(C)CC(=O)OC 7a_100011215188_100009817358 [0,2,0,0,0,0|1,0,1]=4 3070 B13R0.429 CCC(C)CSCC(=O)CC(=O)OC 62a_100000210525_100000748023 [0,2,0,0,0,0|2,0,0]=4 3071 B13R0.429 CCC(C)CSCC(=O)CC(=O)OC 62a_100000748023_100000210525 [0,2,0,0,0,0|2,0,0]=4 3072 B13R0.429 CCN(C)CCCC(=O)CC(=O)OC 1458a_100000211351_100015186262 [0,2,0,0,0,0|2,0,0]=4 3073 B13R0.429 CC[C@H](C)CSCC(=O)CC(=O)OC 62a_100000210525_100009816398 [0,2,0,0,0,0|2,0,0]=4 3074 B13R0.429 CC[C@H](C)CSCC(=O)CC(=O)OC 62a_100009816398_100000210525 [0,2,0,0,0,0|2,0,0]=4 3075 B13R0.429 COC(=O)CC(=O)CSC[C@@H](C)CO 62a_100000059175_100000210525 [0,2,0,0,0,0|2,0,0]=4 3076 B13R0.429 COC(=O)CC(=O)CSC[C@@H](C)CO 62a_100000210525_100000059175 [0,2,0,0,0,0|2,0,0]=4 3077 B13R0.429 COC(=O)CC(=O)NCCC(C)CO 240690a_106354213184_100000211351 [0,2,0,0,0,0|1,0,0]=3 3078 B13R0.429 COC(=O)CC(C)OCCC(C)OC 7a_100000764861_100009817358 [0,2,0,0,0,0|1,0,1]=4 3079 B13R0.1278 COC(=O)CC(C)(C)OCCC(C)C 7a_100015205050_100000210626 [0,2,0,0,0,0|1,0,1]=4 3080 B13R0.1278 COC(=O)CS(=O)(=O)NCCC(C)C 270084a_100000210545_100000736875 [0,2,0,0,0,0|2,0,0]=4 3081 B13R0.1278 COC(=O)CS(=O)(=O)NCCC(C)C 274078a_100000210545_100000736875 [0,2,0,0,0,0|2,0,0]=4 3082 B13R0.332 C#CCC(=O)CCOC(=O)CC(=O)C 1458a_100011220946_100000102702 [0,2,0,0,0,0|1,0,1]=4 3083 B13R0.332 C#CCN(C)CCOC(=O)CC(=O)C 34a_100000225692_100000102702 [0,2,0,0,0,0|1,0,0]=3 3084 B13R0.332 C=CCC(=O)CCOC(=O)CC(=O)C 1458a_100000210193_100000102702 [0,2,0,0,0,0|1,0,1]=4 3085 B13R0.332 C=CCN(C)CCOC(=O)CC(=O)C 269982a_100000225617_100000102702 [0,2,0,0,0,0|1,0,0]=3 3086 B13R0.332 CC#CC(=O)CCOC(=O)CC(=O)C 1458a_100000763181_100000102702 [0,2,0,0,0,0|1,0,1]=4 3087 B13R0.332 CC(=O)CC(=O)OCCC(=O)CC#N 1458a_100051588842_100000102702 [0,2,0,0,0,0|1,0,1]=4 3088 B13R0.332 CC(=O)CC(=O)OCCC(=O)CCO 1458a_100011216618_100000102702 [0,2,0,0,0,0|1,0,1]=4 3089 B13R0.332 CC(=O)CC(=O)OCCN(C)CCO 269982a_100000210263_100000102702 [0,2,0,0,0,0|1,0,0]=3 3090 B13R0.332 CC=CC(=O)CCOC(=O)CC(=O)C 1458a_100000210699_100000102702 [0,2,0,0,0,0|1,0,1]=4 3091 B13R0.332 CCCC(=O)CCOC(=O)CC(=O)C 1458a_100000211992_100000102702 [0,2,0,0,0,0|1,0,1]=4 3092 B13R0.332 CCCN(C)CCOC(=O)CC(=O)C 269982a_100000747261_100000102702 [0,2,0,0,0,0|1,0,0]=3 3093 B13R0.332 COCC(=O)CCOC(=O)CC(=O)C 1458a_100000210968_100000102702 [0,2,0,0,0,0|1,0,1]=4 3094 B13R0.332 CSCC(=O)CCOC(=O)CC(=O)C 1458a_100000184570_100000102702 [0,2,0,0,0,0|1,0,1]=4 3095 B13R0.1118 CCN(CC)CCOC(=O)CC(=O)C 269956a_100000042499_100000102702 [0,2,0,0,0,0|1,0,0]=3 3096 B13R0.1118 CCN(CC)CCOC(=O)CC(=O)C 269982a_100000724800_100000102702 [0,2,0,0,0,0|1,0,0]=3 3097 B13R0.1118 COC(CCCC(=O)CC(=O)N)OC 1458a_100134613110_100000069011 [0,2,0,0,0,0|2,0,0]=4 3098 B13R0.348 CC(=O)C(C)C(=O)C(=O)NCC(C)C 1458a_200011297155_100000179758 [0,2,0,0,0,0|2,0,0]=4 3099 B13R0.1410 CC(=O)CC(=O)C(F)(F)SCC(C)C 62a_100000042429_100000210760 [0,2,0,0,0,0|2,0,0]=4 3100 B13R0.1410 CC(=O)CC(=O)C(F)(F)SCC(C)C 62a_100000210624_100000042429 [0,2,0,0,0,0|2,0,0]=4 3101 B13R0.1410 CC(C)CCC(C)(C)C(=O)CC(=O)N 1458a_100134613110_200000037585 [0,2,0,0,0,0|2,0,0]=4 3102 B13R0.1876 CCN(CCC(C)C)C(=O)CC(=O)N 240690a_100000207693_100134613110 [0,2,0,0,0,0|2,0,0]=4 3103 B13R0.1876 CCN(CCC(C)C)C(=O)CC(=O)N 527a_100000207693_100134613110 [0,2,0,0,0,0|2,0,0]=4 3104 B13R0.1218 CCC(C(=O)C)C(=O)NCCC(C)C 1458a_100000070787_200011763481 [0,2,0,0,0,0|1,0,0]=3 3105 B13R0.1218 CCC(C(=O)N)C(=O)CCCC(C)C 1458a_100011216857_100000750255 [0,2,0,0,0,0|2,0,0]=4 3106 B13R0.1238 CC(=O)C(C)C(=O)CCN(C)C(C)C 1458a_100015184040_100000179758 [0,2,0,0,0,0|2,0,0]=4 3107 B13R0.1404 CC(C)CCCC(=O)C(F)(F)C(=O)N 1458a_100011216857_100009811971 [0,2,0,0,0,0|2,0,0]=4 3108 B13R0.1173 CC(C)C(CO)CNC(=O)CC(=O)N 240690a_100000692819_100134613110 [0,2,0,0,0,0|2,0,0]=4 3109 B13R0.1173 CC(C)C(CO)CNC(=O)CC(=O)N 527a_100000692819_100134613110 [0,2,0,0,0,0|2,0,0]=4 3110 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210193 [1,0,0,1,0,0|1,0,1]=4 3111 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210193 [1,0,0,1,0,0|1,0,1]=4 3112 B11R1.15 C=CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210193 [1,0,0,1,0,0|1,0,1]=4 3113 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210699 [1,0,0,1,0,0|1,0,1]=4 3114 B11R1.15 CC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210699 [1,0,0,1,0,0|1,0,1]=4 3115 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [1,0,0,1,0,0|1,0,1]=4 3116 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [1,0,0,1,0,0|1,0,1]=4 3117 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [1,0,0,1,0,0|1,0,1]=4 3118 B11R1.15 COCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210968 [1,0,0,1,0,0|2,0,0]=4 3119 B11R1.15 COCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210968 [1,0,0,1,0,0|2,0,0]=4 3120 B11R1.15 COCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210968 [1,0,0,1,0,0|2,0,0]=4 3121 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000184570 [1,0,0,1,0,0|2,0,0]=4 3122 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000184570 [1,0,0,1,0,0|2,0,0]=4 3123 B11R1.15 CSCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000184570 [1,0,0,1,0,0|2,0,0]=4 3124 B11R1.290 C=CCC(=O)NCCC1CC1 1626a_100000764129_100000210193 [1,0,0,1,0,0|1,0,1]=4 3125 B11R1.290 C=CCC(=O)NCCC1CC1 240690a_100000764129_100000210193 [1,0,0,1,0,0|1,0,1]=4 3126 B11R1.290 C=CCC(=O)NCCC1CC1 527a_100000764129_100000210193 [1,0,0,1,0,0|1,0,1]=4 3127 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [1,0,0,1,0,0|1,0,1]=4 3128 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [1,0,0,1,0,0|1,0,1]=4 3129 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [1,0,0,1,0,0|1,0,1]=4 3130 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [1,0,0,1,0,0|1,0,1]=4 3131 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [1,0,0,1,0,0|1,0,1]=4 3132 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [1,0,0,1,0,0|1,0,1]=4 3133 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [1,0,0,1,0,0|2,0,0]=4 3134 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [1,0,0,1,0,0|2,0,0]=4 3135 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [1,0,0,1,0,0|2,0,0]=4 3136 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [1,0,0,1,0,0|2,0,0]=4 3137 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [1,0,0,1,0,0|2,0,0]=4 3138 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [1,0,0,1,0,0|2,0,0]=4 3139 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [1,0,0,1,0,0|1,0,1]=4 3140 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [1,0,0,1,0,0|2,0,0]=4 3141 B11R1.720 CC(C)CCNC(=O)C1CC1 11a_100000210545_100000210395 [1,0,0,1,0,0|1,0,1]=4 3142 B11R1.720 CC(C)CCNC(=O)C1CC1 1626a_100000210545_100000210395 [1,0,0,1,0,0|1,0,1]=4 3143 B11R1.720 CC(C)CCNC(=O)C1CC1 240690a_100000210545_100000210395 [1,0,0,1,0,0|1,0,1]=4 3144 B11R1.720 CC(C)CCNC(=O)C1CC1 527a_100000210545_100000210395 [1,0,0,1,0,0|1,0,1]=4 3145 B11R1.720 CC(C)CCNC(=O)C1CO1 11a_100000210545_100000701028 [1,0,0,1,0,0|2,0,0]=4 3146 B11R1.720 CC(C)CCNC(=O)C1CO1 1626a_100000210545_100000701028 [1,0,0,1,0,0|2,0,0]=4 3147 B11R1.720 CC(C)CCNC(=O)C1CO1 240690a_100000210545_100000701028 [1,0,0,1,0,0|2,0,0]=4 3148 B11R1.720 CC(C)CCNC(=O)C1CO1 527a_100000210545_100000701028 [1,0,0,1,0,0|2,0,0]=4 3149 B11R1.720 CC(C)NCOC(=O)C1CC1 2230a_100138425928_100000140896 [1,0,0,1,0,0|1,0,1]=4 3150 B11R1.720 CC(C)NCOC(=O)C1CC1 34a_100138425928_100000140896 [1,0,0,1,0,0|1,0,1]=4 3151 B11R1.720 CC(C)OCOC(=O)C1CC1 34a_100000212225_100000140896 [1,0,0,1,0,0|1,0,1]=4 3152 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000140896_100000210206 [1,0,0,1,0,0|1,0,1]=4 3153 B11R1.720 CC(C)SCOC(=O)C1CC1 62a_100000210206_100000140896 [1,0,0,1,0,0|1,0,1]=4 3154 B11R1.27 CCCCOC1CCC(=O)C1 34a_100012614533_100000210210 [1,0,0,1,0,0|1,0,1]=4 3155 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [1,0,0,1,0,0|2,0,0]=4 3156 B11R1.77 CC(=O)CC(=O)N1CCCC1 1458a_100000070787_100000183516 [1,0,0,1,0,0|1,0,0]=3 3157 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000187820 [1,0,0,1,0,0|2,0,0]=4 3158 B11R1.77 NC(=O)CC(=O)C1CCCC1 1458a_100134613110_100000179811 [1,0,0,1,0,0|2,0,0]=4 3159 B11R1.77 NC(=O)CC(=O)N1CCCC1 240690a_100000188435_100134613110 [1,0,0,1,0,0|2,0,0]=4 3160 B11R1.77 NC(=O)CC(=O)N1CCCC1 527a_100000188435_100134613110 [1,0,0,1,0,0|2,0,0]=4 3161 B11R1.77 O=C([O-])CC(=O)C1CCCC1 1458a_100000210718_100020667443 [1,0,0,1,0,0|2,0,0]=4 3162 B11R1.141 CC1CCN1C(=O)CC(=O)N 240690a_100000755817_100134613110 [1,0,0,1,0,0|2,0,0]=4 3163 B11R1.141 CC1CCN1C(=O)CC(=O)N 527a_100000755817_100134613110 [1,0,0,1,0,0|2,0,0]=4 3164 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [1,0,0,1,0,0|1,0,0]=3 3165 B11R1.143 CC(=O)C1CCCCNC1=O 1458a_100000070787_100000735217 [1,0,0,1,0,0|1,0,0]=3 3166 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [1,0,0,1,0,0|2,0,0]=4 3167 B11R1.257 CCC1CC1C(=O)CC(=O)N 1458a_200011661523_100000187820 [1,0,0,1,0,0|2,0,0]=4 3168 B11R1.257 CCC1CC1C(=O)CC(=O)[O-] 1458a_200011661523_100020667443 [1,0,0,1,0,0|2,0,0]=4 3169 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [1,0,0,1,0,0|2,0,0]=4 3170 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000187820 [1,0,0,1,0,0|2,0,0]=4 3171 B11R1.484 NC(=O)CC(=O)CC1CCC1 1458a_100134613110_100000763275 [1,0,0,1,0,0|2,0,0]=4 3172 B11R1.484 NC(=O)CC(=O)NC1CCC1 240690a_100000749019_100134613110 [1,0,0,1,0,0|2,0,0]=4 3173 B11R1.484 NC(=O)CC(=O)NC1CCC1 527a_100000749019_100134613110 [1,0,0,1,0,0|2,0,0]=4 3174 B11R1.484 O=C([O-])CC(=O)CC1CCC1 1458a_100000763092_100020667443 [1,0,0,1,0,0|2,0,0]=4 3175 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [1,0,0,1,0,0|2,0,0]=4 3176 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000187820 [1,0,0,1,0,0|2,0,0]=4 3177 B11R1.485 NC(=O)CC(=O)CCC1CC1 1458a_100134613110_100000694398 [1,0,0,1,0,0|2,0,0]=4 3178 B11R1.485 NC(=O)CC(=O)NCC1CC1 240690a_100000735609_100134613110 [1,0,0,1,0,0|2,0,0]=4 3179 B11R1.485 NC(=O)CC(=O)NCC1CC1 527a_100000735609_100134613110 [1,0,0,1,0,0|2,0,0]=4 3180 B11R1.485 O=C([O-])CC(=O)CCC1CC1 1458a_100000756386_100020667443 [1,0,0,1,0,0|2,0,0]=4 3181 B11R1.75 CC(=O)CCN1CC[C@H](C1)C 269982a_100016987628_100000053229 [1,0,0,1,0,0|1,0,1]=4 3182 B11R1.102 C=C(C)CCOCC1CC1C 34a_100000744939_100000730704 [1,0,0,1,0,0|1,0,1]=4 3183 B11R1.102 C=C(C)CCOCC1CC1C 7a_100000744939_100000730704 [1,0,0,1,0,0|1,0,1]=4 3184 B11R1.102 CC(=O)CCOCC1CC1C 7a_100000744939_100000053229 [1,0,0,1,0,0|0,0,1]=3 3185 B11R1.102 CC(=O)OCOCC1CC1C 34a_100000744939_100009813279 [1,0,0,1,0,0|1,0,1]=4 3186 B11R1.102 CC1CC1COCCC(=O)N 34a_100000744939_100000731001 [1,0,0,1,0,0|1,0,1]=4 3187 B11R1.102 CC1CC1COCCC(=O)N 7a_100000744939_100000744528 [1,0,0,1,0,0|1,0,1]=4 3188 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000754188_100000730704 [1,0,0,1,0,0|1,0,1]=4 3189 B11R1.176 C=C(C)CCOCCC1CC1 34a_100000764851_100000694398 [1,0,0,1,0,0|1,0,1]=4 3190 B11R1.176 C=C(C)CCOCCC1CC1 7a_100000754188_100000730704 [1,0,0,1,0,0|1,0,1]=4 3191 B11R1.176 CC(=O)CCOCCC1CC1 34a_100000759926_100000694398 [1,0,0,1,0,0|0,0,1]=3 3192 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000754188_100000053229 [1,0,0,1,0,0|0,0,1]=3 3193 B11R1.176 CC(=O)CCOCCC1CC1 7a_100000759926_100000764125 [1,0,0,1,0,0|0,0,1]=3 3194 B11R1.176 CC(=O)CCOCCC1CO1 34a_100000759926_100000732470 [1,0,0,1,0,0|1,0,1]=4 3195 B11R1.176 CC(=O)CCOCCC1CO1 7a_100000759926_100000732470 [1,0,0,1,0,0|1,0,1]=4 3196 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000053229_100000764125 [1,0,0,1,0,0|0,1,1]=4 3197 B11R1.176 CC(=O)CCSCCC1CC1 62a_100000764125_100000053229 [1,0,0,1,0,0|0,1,1]=4 3198 B11R1.176 CC(=O)OCOCCC1CC1 34a_100000754188_100009813279 [1,0,0,1,0,0|1,0,1]=4 3199 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000754188_100000731001 [1,0,0,1,0,0|1,0,1]=4 3200 B11R1.176 NC(=O)CCOCCC1CC1 34a_100000757172_100000694398 [1,0,0,1,0,0|1,0,1]=4 3201 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000754188_100000744528 [1,0,0,1,0,0|1,0,1]=4 3202 B11R1.176 NC(=O)CCOCCC1CC1 7a_100000757172_100000764125 [1,0,0,1,0,0|1,0,1]=4 3203 B11R1.20 CC(=O)C=C1CCC(CC1)C 1458a_100000756110_200000210301 [0,0,0,1,1,0|1,0,1]=4 3204 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,1,1,0|1,0,1]=4 3205 B11R1.20 CC(=O)CN1CCC(CC1)C 1458a_100000238061_200000210301 [0,0,0,1,1,0|2,0,0]=4 3206 B11R1.20 CC1CCC(=CC(=O)[13CH3])CC1 1458a_100000756110_200025704644 [0,0,0,1,1,0|1,0,1]=4 3207 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,1,1,0|1,0,1]=4 3208 B11R1.20 CC1CCN(CC1)CC(=O)[13CH3] 1458a_100000238061_200025704644 [0,0,0,1,1,0|2,0,0]=4 3209 B11R1.103 CC(C)CCC(=O)C1CC1C 1458a_100000211227_100000210312 [0,0,0,1,1,0|1,0,1]=4 3210 B11R1.103 CC(C)CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210312 [0,0,0,1,1,0|1,0,1]=4 3211 B11R1.152 C=C(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000748629 [0,0,0,1,1,0|1,0,0]=3 3212 B11R1.152 C=C(C)CC(=O)C1CC(C1)F 1458a_100000062598_100000748629 [0,0,0,1,1,0|2,0,0]=4 3213 B11R1.152 C=C(C)CC(=O)C1CN(C1)C 1458a_100012002723_100000748629 [0,0,0,1,1,0|2,0,0]=4 3214 B11R1.152 C=C(C)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000748629 [0,0,0,1,1,0|2,0,0]=4 3215 B11R1.152 C=C(F)CC(=O)C1CC(C1)C 1458a_100000686124_100009893438 [0,0,0,1,1,0|1,0,1]=4 3216 B11R1.152 CC(=O)CC(=O)N1CC(C1)O 1458a_100000070787_100013143841 [0,0,0,1,1,0|2,0,0]=4 3217 B11R1.152 CC(C)CC(=O)C1CC(C1)C 1458a_100000686124_100000210624 [0,0,0,1,1,0|1,0,1]=4 3218 B11R1.152 CC(O)CC(=O)C1CC(C1)C 1458a_100000686124_100011218427 [0,0,0,1,1,0|0,0,2]=4 3219 B11R1.152 CC1CC(C1)C(=O)CC(=O)N 1458a_100000686124_100000187820 [0,0,0,1,1,0|1,0,0]=3 3220 B11R1.152 CC1CC(C1)C(=O)CC(=O)[O-] 1458a_100000686124_100020667443 [0,0,0,1,1,0|1,0,0]=3 3221 B11R1.152 CC1CC(C1)C(=O)C[N+](=O)[O-] 1458a_100000686124_100000761209 [0,0,0,1,1,0|2,0,0]=4 3222 B11R1.152 CC1CN(C1)C(=O)CC(=O)N 240690a_100000702820_100134613110 [0,0,0,1,1,0|2,0,0]=4 3223 B11R1.152 CC1CN(C1)C(=O)CC(=O)N 527a_100000702820_100134613110 [0,0,0,1,1,0|2,0,0]=4 3224 B11R1.152 CN1CC(C1)C(=O)CC(=O)N 1458a_100012002723_100000187820 [0,0,0,1,1,0|2,0,0]=4 3225 B11R1.152 CN1CC(C1)C(=O)CC(=O)[O-] 1458a_100012002723_100020667443 [0,0,0,1,1,0|2,0,0]=4 3226 B11R1.152 NC(=O)CC(=O)C1CC(C1)F 1458a_100000062598_100000187820 [0,0,0,1,1,0|2,0,0]=4 3227 B11R1.152 NC(=O)CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000187820 [0,0,0,1,1,0|2,0,0]=4 3228 B11R1.152 O=C([O-])CC(=O)C1CC(C1)F 1458a_100000062598_100020667443 [0,0,0,1,1,0|2,0,0]=4 3229 B11R1.152 O=C([O-])CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100020667443 [0,0,0,1,1,0|2,0,0]=4 3230 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000181311_100000742324 [0,0,0,1,1,0|1,0,1]=4 3231 B11R1.348 CC(C)CCC(=O)CC1CC1 1458a_100000738066_100000210312 [0,0,0,1,1,0|1,0,1]=4 3232 B11R1.348 CC(C)CCC(=O)CC1CO1 1458a_100000181311_100011216344 [0,0,0,1,1,0|0,0,2]=4 3233 B11R1.348 CC(C)CCC(=O)CC1CS1 1458a_100000181311_100000031435 [0,0,0,1,1,0|0,1,1]=4 3234 B11R1.348 CC(C)CCC(=O)C[C@@H]1CO1 1458a_100000181311_100000745022 [0,0,0,1,1,0|0,0,2]=4 3235 B11R1.1263 C=C(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000748629 [0,0,0,1,1,0|1,0,0]=3 3236 B11R1.1263 C=C(F)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100009893438 [0,0,0,1,1,0|1,0,1]=4 3237 B11R1.1263 CC(C)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210624 [0,0,0,1,1,0|1,0,1]=4 3238 B11R1.1263 CC(O)CC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011218427 [0,0,0,1,1,0|0,0,2]=4 3239 B11R1.1263 CC1(C[C@@H]1C(=O)CC(=O)N)C 1458a_100000692687_100000187820 [0,0,0,1,1,0|1,0,0]=3 3240 B11R1.1263 CC1(C[C@@H]1C(=O)CC(=O)[O-])C 1458a_100000692687_100020667443 [0,0,0,1,1,0|1,0,0]=3 3241 B11R1.1263 CC1(C[C@@H]1C(=O)C[N+](=O)[O-])C 1458a_100000692687_100000761209 [0,0,0,1,1,0|2,0,0]=4 3242 B11R1.80 CC1=CC(OC1=O)NC(C)C 2230a_100138425928_200009893386 [0,0,0,1,1,0|2,0,0]=4 3243 B11R1.80 CC1=CC(OC1=O)SC(C)C 62a_100000210206_200009893386 [0,0,0,1,1,0|2,0,0]=4 3244 B11R1.80 CC1=CC(OC1=O)SC(C)C 62a_200009893386_100000210206 [0,0,0,1,1,0|2,0,0]=4 3245 B11R1.104 CC(=O)C(C)OCC1CC1C 7a_100000744939_100000179758 [0,0,0,1,1,0|1,0,1]=4 3246 B11R1.153 CC(=O)C(=O)CN1CC(C1)C 269982a_100000702820_100011261029 [0,0,0,1,1,0|2,0,0]=4 3247 B11R1.153 CC(=O)C(=O)CN1CC(C1)C 34a_100000702820_100011261029 [0,0,0,1,1,0|2,0,0]=4 3248 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,0,0,1,1,0|1,0,1]=4 3249 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,0,0,1,1,0|1,0,1]=4 3250 B11R1.314 C=C(C)C(=O)N1CC[C@H](C1)C 11a_100016987628_100000185857 [0,0,0,1,1,0|2,0,0]=4 3251 B11R1.314 C[C@@H]1CCN(C1)C(=O)C(=O)N 240690a_100016987628_100011215815 [0,0,0,1,1,0|2,0,0]=4 3252 B11R1.333 C=C(C)C(=O)NCCC1CC1 1626a_100000764129_100000185857 [0,0,0,1,1,0|2,0,0]=4 3253 B11R1.333 CC(=O)C(=O)CNCC1CC1 34a_100000735609_100011261029 [0,0,0,1,1,0|2,0,0]=4 3254 B11R1.333 CC(=O)C(=O)COCC1CC1 34a_100000211283_100011261029 [0,0,0,1,1,0|2,0,0]=4 3255 B11R1.333 CC(=O)C(=O)CSCC1CC1 62a_100000756562_100011261029 [0,0,0,1,1,0|2,0,0]=4 3256 B11R1.333 CC(=O)C(=O)CSCC1CC1 62a_100011261029_100000742324 [0,0,0,1,1,0|2,0,0]=4 3257 B11R1.333 CC(=O)C(C)OCCC1CC1 34a_100000212229_100000694398 [0,0,0,1,1,0|1,0,1]=4 3258 B11R1.333 CC(=O)C(C)OCCC1CC1 7a_100000754188_100000179758 [0,0,0,1,1,0|1,0,1]=4 3259 B11R1.333 NC(=O)C(=O)NCCC1CC1 240690a_100000764129_100011215815 [0,0,0,1,1,0|2,0,0]=4 3260 B13R1.129 C=C(C)CCC(=O)N1CC[C@H](C1)C 11a_100016987628_200000688413 [0,0,0,1,0,1|2,0,0]=4 3261 B13R1.129 C=C(C)CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_200000688413 [0,0,0,1,0,1|2,0,0]=4 3262 B13R1.129 C=C(C)CCC(=O)N1CC[C@H](C1)C 527a_100016987628_200000688413 [0,0,0,1,0,1|2,0,0]=4 3263 B13R1.129 C=C(C)CNC(=O)N1CC[C@H](C1)C 2708a_100000765925_100016987628 [0,0,0,1,0,1|2,0,0]=4 3264 B13R1.129 C=C(C)CNC(=O)N1CC[C@H](C1)C 273464a_100000765925_100016987628 [0,0,0,1,0,1|2,0,0]=4 3265 B13R1.129 CC(=CCC(=O)N1CC[C@H](C1)C)C 11a_100016987628_100011220947 [0,0,0,1,0,1|2,0,0]=4 3266 B13R1.129 CC(=CCC(=O)N1CC[C@H](C1)C)C 240690a_100016987628_100011220947 [0,0,0,1,0,1|2,0,0]=4 3267 B13R1.129 CC(=CCC(=O)N1CC[C@H](C1)C)C 527a_100016987628_100011220947 [0,0,0,1,0,1|2,0,0]=4 3268 B13R1.129 CC(=O)NCC(=O)N1CCC(C1)O 240690a_100011215560_100000194580 [0,0,0,1,0,1|2,0,0]=4 3269 B13R1.129 CC(=O)NCC(=O)N1CCC(C1)O 527a_100011215560_100000194580 [0,0,0,1,0,1|2,0,0]=4 3270 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000194580 [0,0,0,1,0,1|2,0,0]=4 3271 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000194580 [0,0,0,1,0,1|2,0,0]=4 3272 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000194580 [0,0,0,1,0,1|2,0,0]=4 3273 B13R1.129 CC(=O)NCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000194580 [0,0,0,1,0,1|2,0,0]=4 3274 B13R1.129 CC(=O)NCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000194580 [0,0,0,1,0,1|1,0,0]=3 3275 B13R1.129 CC(=O)NCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000194580 [0,0,0,1,0,1|1,0,0]=3 3276 B13R1.129 CC(=O)NCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000194580 [0,0,0,1,0,1|1,0,0]=3 3277 B13R1.129 CC(=O)OCC(=O)N1CCC(C1)O 240690a_100011215560_100000183556 [0,0,0,1,0,1|2,0,0]=4 3278 B13R1.129 CC(=O)OCC(=O)N1CCC(C1)O 527a_100011215560_100000183556 [0,0,0,1,0,1|2,0,0]=4 3279 B13R1.129 CC(=O)OCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000183556 [0,0,0,1,0,1|2,0,0]=4 3280 B13R1.129 CC(=O)OCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000183556 [0,0,0,1,0,1|2,0,0]=4 3281 B13R1.129 CC(=O)OCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000183556 [0,0,0,1,0,1|2,0,0]=4 3282 B13R1.129 CC(=O)OCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000183556 [0,0,0,1,0,1|1,0,0]=3 3283 B13R1.129 CC(=O)OCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000183556 [0,0,0,1,0,1|1,0,0]=3 3284 B13R1.129 CC(=O)SCC(=O)N1CCC(C1)O 240690a_100011215560_100000049016 [0,0,0,1,0,1|2,0,0]=4 3285 B13R1.129 CC(=O)SCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000049016 [0,0,0,1,0,1|2,0,0]=4 3286 B13R1.129 CC(=O)SCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000049016 [0,0,0,1,0,1|2,0,0]=4 3287 B13R1.129 CC(=O)SCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000049016 [0,0,0,1,0,1|2,0,0]=4 3288 B13R1.129 CC(=O)SCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000049016 [0,0,0,1,0,1|1,0,0]=3 3289 B13R1.129 CC(=O)SCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000049016 [0,0,0,1,0,1|1,0,0]=3 3290 B13R1.129 C[C@@H]1CCN(C1)C(=O)CCC(=O)N 240690a_100016987628_100011215257 [0,0,0,1,0,1|2,0,0]=4 3291 B13R1.129 C[C@@H]1CCN(C1)C(=O)CCC(=O)N 527a_100016987628_100011215257 [0,0,0,1,0,1|2,0,0]=4 3292 B13R1.129 C[C@@H]1CCN(C1)C(=O)CNC(=O)N 240690a_100016987628_100000184981 [0,0,0,1,0,1|2,0,0]=4 3293 B13R1.129 C[C@@H]1CCN(C1)C(=O)CNC(=O)N 527a_100016987628_100000184981 [0,0,0,1,0,1|2,0,0]=4 3294 B13R1.129 C[C@@H]1CCN(C1)C(=O)CSC(=O)N 240690a_100016987628_200015941356 [0,0,0,1,0,1|2,0,0]=4 3295 B13R1.129 C[C@@H]1CCN(C1)C(=O)NCC(=O)N 273464a_100000711301_100016987628 [0,0,0,1,0,1|2,0,0]=4 3296 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 11a_100016993743_100000194580 [0,0,0,1,0,1|2,0,0]=4 3297 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 1626a_100016993743_100000194580 [0,0,0,1,0,1|2,0,0]=4 3298 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 240690a_100016993743_100000194580 [0,0,0,1,0,1|2,0,0]=4 3299 B13R1.293 CC(=O)NCC(=O)NC1CC(C1)F 527a_100016993743_100000194580 [0,0,0,1,0,1|2,0,0]=4 3300 B13R1.293 CC(=O)NCC(=O)NC1CN(C1)C 240690a_100015196640_100000194580 [0,0,0,1,0,1|2,0,0]=4 3301 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000194580 [0,0,0,1,0,1|2,0,0]=4 3302 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000194580 [0,0,0,1,0,1|2,0,0]=4 3303 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000194580 [0,0,0,1,0,1|2,0,0]=4 3304 B13R1.293 CC(=O)NCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000194580 [0,0,0,1,0,1|2,0,0]=4 3305 B13R1.293 CC(=O)OCC(=O)CN1CC(C1)C 269982a_100000702820_100000036994 [0,0,0,1,0,1|2,0,0]=4 3306 B13R1.293 CC(=O)OCC(=O)CN1CC(C1)C 34a_100000702820_100000036994 [0,0,0,1,0,1|2,0,0]=4 3307 B13R1.293 CC(=O)OCC(=O)NC1CC(C1)F 1626a_100016993743_100000183556 [0,0,0,1,0,1|2,0,0]=4 3308 B13R1.293 CC(=O)OCC(=O)NC1CC(C1)F 240690a_100016993743_100000183556 [0,0,0,1,0,1|2,0,0]=4 3309 B13R1.293 CC(=O)OCC(=O)NC1CC(C1)F 527a_100016993743_100000183556 [0,0,0,1,0,1|2,0,0]=4 3310 B13R1.293 CC(=O)OCC(=O)NC1CN(C1)C 240690a_100015196640_100000183556 [0,0,0,1,0,1|2,0,0]=4 3311 B13R1.293 CC(=O)OCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000183556 [0,0,0,1,0,1|2,0,0]=4 3312 B13R1.293 CC(=O)OCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000183556 [0,0,0,1,0,1|2,0,0]=4 3313 B13R1.293 CC(=O)OCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000183556 [0,0,0,1,0,1|2,0,0]=4 3314 B13R1.293 CC(=O)SCC(=O)NC1CC(C1)F 11a_100016993743_100000049016 [0,0,0,1,0,1|2,0,0]=4 3315 B13R1.293 CC(=O)SCC(=O)NC1CC(C1)F 1626a_100016993743_100000049016 [0,0,0,1,0,1|2,0,0]=4 3316 B13R1.293 CC(=O)SCC(=O)NC1CC(C1)F 240690a_100016993743_100000049016 [0,0,0,1,0,1|2,0,0]=4 3317 B13R1.293 CC(=O)SCC(=O)NC1CN(C1)C 240690a_100015196640_100000049016 [0,0,0,1,0,1|2,0,0]=4 3318 B13R1.293 CC(=O)SCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000049016 [0,0,0,1,0,1|2,0,0]=4 3319 B13R1.293 CC(=O)SCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000049016 [0,0,0,1,0,1|2,0,0]=4 3320 B13R1.293 CC(=O)SCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000049016 [0,0,0,1,0,1|2,0,0]=4 3321 B13R1.513 CC(C)CCOC1CCC(=O)CC1 34a_100000764474_100000210312 [0,0,0,1,0,1|1,0,1]=4 3322 B13R1.513 CC(C)CCOC1CCC(=O)CC1 7a_100000764474_100000210626 [0,0,0,1,0,1|1,0,1]=4 3323 B13R1.513 CC(C)CCOC1CCC(=O)NC1 34a_100000079199_100000210312 [0,0,0,1,0,1|1,0,1]=4 3324 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 1626a_100000764129_200000688413 [0,0,0,1,0,1|2,0,0]=4 3325 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 240690a_100000764129_200000688413 [0,0,0,1,0,1|2,0,0]=4 3326 B13R1.1055 C=C(C)CCC(=O)NCCC1CC1 527a_100000764129_200000688413 [0,0,0,1,0,1|2,0,0]=4 3327 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 2708a_100000764129_100000765925 [0,0,0,1,0,1|2,0,0]=4 3328 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 2708a_100000765925_100000764129 [0,0,0,1,0,1|2,0,0]=4 3329 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 273464a_100000764129_100000765925 [0,0,0,1,0,1|2,0,0]=4 3330 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 273464a_100000765925_100000764129 [0,0,0,1,0,1|2,0,0]=4 3331 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 512a_100000764129_100000765925 [0,0,0,1,0,1|2,0,0]=4 3332 B13R1.1055 C=C(C)CNC(=O)NCCC1CC1 512a_100000765925_100000764129 [0,0,0,1,0,1|2,0,0]=4 3333 B13R1.1055 CC(=CCC(=O)NCCC1CC1)C 1626a_100000764129_100011220947 [0,0,0,1,0,1|2,0,0]=4 3334 B13R1.1055 CC(=CCC(=O)NCCC1CC1)C 240690a_100000764129_100011220947 [0,0,0,1,0,1|2,0,0]=4 3335 B13R1.1055 CC(=CCC(=O)NCCC1CC1)C 527a_100000764129_100011220947 [0,0,0,1,0,1|2,0,0]=4 3336 B13R1.1055 CC(=O)NCC(=O)CCCC1CO1 1458a_100000194580_100000733510 [0,0,0,1,0,1|2,0,0]=4 3337 B13R1.1055 CC(=O)NCC(=O)NCCC1CC1 1626a_100000764129_100000194580 [0,0,0,1,0,1|1,0,0]=3 3338 B13R1.1055 CC(=O)NCC(=O)NCCC1CC1 240690a_100000764129_100000194580 [0,0,0,1,0,1|1,0,0]=3 3339 B13R1.1055 CC(=O)NCC(=O)NCCC1CC1 527a_100000764129_100000194580 [0,0,0,1,0,1|1,0,0]=3 3340 B13R1.1055 CC(=O)NCC(=O)NNCC1CC1 22a_100000736359_100000194580 [0,0,0,1,0,1|2,0,0]=4 3341 B13R1.1055 CC(=O)NNC(=O)NCCC1CC1 273464a_100000764129_100000189765 [0,0,0,1,0,1|2,0,0]=4 3342 B13R1.1055 CC(=O)NNC(=O)NCCC1CC1 512a_100000189765_100000764129 [0,0,0,1,0,1|2,0,0]=4 3343 B13R1.1055 CC(=O)OCC(=O)CCCC1CO1 1458a_100000183556_100000733510 [0,0,0,1,0,1|2,0,0]=4 3344 B13R1.1055 CC(=O)OCC(=O)CNCC1CC1 34a_100000735609_100000036994 [0,0,0,1,0,1|2,0,0]=4 3345 B13R1.1055 CC(=O)OCC(=O)COCC1CC1 34a_100000211283_100000036994 [0,0,0,1,0,1|2,0,0]=4 3346 B13R1.1055 CC(=O)OCC(=O)CSCC1CC1 62a_100000036994_100000742324 [0,0,0,1,0,1|2,0,0]=4 3347 B13R1.1055 CC(=O)OCC(=O)CSCC1CC1 62a_100000756562_100000036994 [0,0,0,1,0,1|2,0,0]=4 3348 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 1626a_100000764129_100000183556 [0,0,0,1,0,1|1,0,0]=3 3349 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 240690a_100000764129_100000183556 [0,0,0,1,0,1|1,0,0]=3 3350 B13R1.1055 CC(=O)OCC(=O)NCCC1CC1 527a_100000764129_100000183556 [0,0,0,1,0,1|1,0,0]=3 3351 B13R1.1055 CC(=O)OCC(=O)NNCC1CC1 22a_100000736359_100000183556 [0,0,0,1,0,1|2,0,0]=4 3352 B13R1.1055 CC(=O)SCC(=O)CCCC1CO1 1458a_100000049016_100000733510 [0,0,0,1,0,1|2,0,0]=4 3353 B13R1.1055 CC(=O)SCC(=O)NCCC1CC1 1626a_100000764129_100000049016 [0,0,0,1,0,1|1,0,0]=3 3354 B13R1.1055 CC(=O)SCC(=O)NCCC1CC1 240690a_100000764129_100000049016 [0,0,0,1,0,1|1,0,0]=3 3355 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 240690a_100000764129_100011215257 [0,0,0,1,0,1|2,0,0]=4 3356 B13R1.1055 NC(=O)CCC(=O)NCCC1CC1 527a_100000764129_100011215257 [0,0,0,1,0,1|2,0,0]=4 3357 B13R1.1055 NC(=O)CNC(=O)NCCC1CC1 2708a_100000764129_100000711301 [0,0,0,1,0,1|2,0,0]=4 3358 B13R1.1055 NC(=O)CNC(=O)NCCC1CC1 273464a_100000711301_100000764129 [0,0,0,1,0,1|2,0,0]=4 3359 B13R1.1055 NC(=O)CNC(=O)NCCC1CC1 273464a_100000764129_100000711301 [0,0,0,1,0,1|2,0,0]=4 3360 B13R1.1055 NC(=O)CNC(=O)NCCC1CC1 512a_100000764129_100000711301 [0,0,0,1,0,1|2,0,0]=4 3361 B13R1.1055 NC(=O)NCC(=O)NCCC1CC1 240690a_100000764129_100000184981 [0,0,0,1,0,1|2,0,0]=4 3362 B13R1.1055 NC(=O)NCC(=O)NCCC1CC1 527a_100000764129_100000184981 [0,0,0,1,0,1|2,0,0]=4 3363 B13R1.1055 NC(=O)SCC(=O)NCCC1CC1 240690a_100000764129_200015941356 [0,0,0,1,0,1|2,0,0]=4 3364 B13R1.3835 C=C1CC(C1)C(=O)CCCC(C)C 1458a_100000065620_100011214892 [0,0,0,1,0,1|2,0,0]=4 3365 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 11a_100000210545_100000065620 [0,0,0,1,0,1|2,0,0]=4 3366 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 1626a_100000210545_100000065620 [0,0,0,1,0,1|2,0,0]=4 3367 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 240690a_100000210545_100000065620 [0,0,0,1,0,1|2,0,0]=4 3368 B13R1.3835 C=C1CC(C1)C(=O)NCCC(C)C 527a_100000210545_100000065620 [0,0,0,1,0,1|2,0,0]=4 3369 B13R1.3835 CC(C)CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100011214892 [0,0,0,1,0,1|1,0,0]=3 3370 B13R1.3835 CC(C)CCNC(=O)[C@@H]1CC(=O)N1 527a_100000210545_100016090685 [0,0,0,1,0,1|1,0,0]=3 3371 B13R1.3835 CC(C)CNNC(=O)[C@@H]1CC(=O)N1 22a_100000696102_100016090685 [0,0,0,1,0,1|2,0,0]=4 3372 B13R1.3835 CC(C)OCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000211751 [0,0,0,1,0,1|2,0,0]=4 3373 B13R1.3835 CC(C)SCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000730970 [0,0,0,1,0,1|2,0,0]=4 3374 B13R1.3835 CC(O)CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000718107 [0,0,0,1,0,1|2,0,0]=4 3375 B13R1.3835 CC(O)CCNC(=O)[C@@H]1CC(=O)N1 527a_200000755665_100016090685 [0,0,0,1,0,1|2,0,0]=4 3376 B13R1.3835 CN(C)CCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000695564 [0,0,0,1,0,1|2,0,0]=4 3377 B13R1.3835 CN(C)CCNC(=O)[C@@H]1CC(=O)N1 527a_100000210585_100016090685 [0,0,0,1,0,1|2,0,0]=4 3378 B13R1.128 CC(C)CCCOC1CCC(=O)C1 34a_100012614533_100011214892 [0,0,0,1,0,1|1,0,1]=4 3379 B13R1.128 CC(C)OCCOC1CCC(=O)C1 34a_100012614533_100000211751 [0,0,0,1,0,1|1,0,1]=4 3380 B13R1.128 CC(C)SCCOC1CCC(=O)C1 34a_100012614533_100000730970 [0,0,0,1,0,1|1,0,1]=4 3381 B13R1.147 C=C(C)CC(=O)C1CCCC(C1)C 1458a_100011215569_100000748629 [0,0,0,1,0,1|2,0,0]=4 3382 B13R1.147 C=C(C)CC(=O)C1CN(CCO1)C 1458a_100011543126_100000748629 [0,0,0,1,0,1|2,0,0]=4 3383 B13R1.147 CC(=O)CC(=O)N1CCCC(C1)C 1458a_100000070787_100000182890 [0,0,0,1,0,1|1,0,0]=3 3384 B13R1.147 CC1CCCC(C1)C(=O)CC(=O)N 1458a_100011215569_100000187820 [0,0,0,1,0,1|2,0,0]=4 3385 B13R1.147 CC1CCCC(C1)C(=O)CC(=O)[O-] 1458a_100011215569_100020667443 [0,0,0,1,0,1|2,0,0]=4 3386 B13R1.147 CC1CN(CCO1)C(=O)CC(=O)N 240690a_100000729577_100134613110 [0,0,0,1,0,1|2,0,0]=4 3387 B13R1.147 CC1CN(CCO1)C(=O)CC(=O)N 527a_100000729577_100134613110 [0,0,0,1,0,1|2,0,0]=4 3388 B13R1.147 CN1CCOC(C1)C(=O)CC(=O)N 1458a_100011543126_100000187820 [0,0,0,1,0,1|2,0,0]=4 3389 B13R1.147 CN1CCOC(C1)C(=O)CC(=O)[O-] 1458a_100011543126_100020667443 [0,0,0,1,0,1|2,0,0]=4 3390 B13R1.147 C[C@H]1CCCN(C1)C(=O)CC(=O)N 240690a_100000717927_100134613110 [0,0,0,1,0,1|2,0,0]=4 3391 B13R1.147 C[C@H]1CCCN(C1)C(=O)CC(=O)N 527a_100000717927_100134613110 [0,0,0,1,0,1|2,0,0]=4 3392 B13R1.583 CC(=O)Cc1noc(n1)CC(C)C 1458a_100000070787_100000736086 [0,0,0,1,0,1|1,0,1]=4 3393 B13R1.583 CC(=O)Cc1noc(n1)CC(C)C 270196a_100011229364_100000210554 [0,0,0,1,0,1|1,0,1]=4 3394 B13R1.2028 CC(=O)CC(=O)OCCNC1CC1 34a_100000212008_100000102702 [0,0,0,1,0,1|0,0,0]=2 3395 B13R1.2028 CC(=O)CC(=O)OCCSC1CC1 62a_100000102702_100000211595 [0,0,0,1,0,1|0,0,0]=2 3396 B13R1.2028 CC(=O)NC(=O)COCCC1CC1 7a_100000754188_100000183797 [0,0,0,1,0,1|1,0,0]=3 3397 B13R1.2028 CC(=O)NC(=O)CSCCC1CC1 62a_100000764125_100000183797 [0,0,0,1,0,1|1,1,0]=4 3398 B13R1.2028 NC(=O)NC(=O)COCCC1CC1 7a_100000754188_100000182717 [0,0,0,1,0,1|2,0,0]=4 3399 B13R1.2790 CC(=O)NC(=O)COCC1CC1C 7a_100000744939_100000183797 [0,0,0,1,0,1|1,0,0]=3 3400 B13R1.2790 CC1CC1COCC(=O)NC(=O)N 7a_100000744939_100000182717 [0,0,0,1,0,1|2,0,0]=4 3401 B13R1.3424 CC(=O)NC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000183797 [0,0,0,1,0,1|2,0,0]=4 3402 B13R1.3431 CC1(CCCN1C(=O)CC(=O)N)C 240690a_100000761399_100134613110 [0,0,0,1,0,1|2,0,0]=4 3403 B13R1.3431 CC1(CCCN1C(=O)CC(=O)N)C 527a_100000761399_100134613110 [0,0,0,1,0,1|2,0,0]=4 3404 B13R1.3431 CC1(COCN1C(=O)CC(=O)N)C 240690a_100000043020_100134613110 [0,0,0,1,0,1|2,0,0]=4 3405 B13R1.3431 CC1(SCCN1C(=O)CC(=O)N)C 240690a_100011217261_100134613110 [0,0,0,1,0,1|2,0,0]=4 3406 B13R1.3431 CC1(SCCN1C(=O)CC(=O)N)C 527a_100011217261_100134613110 [0,0,0,1,0,1|2,0,0]=4 3407 B13R1.3485 CC(C)CCNC1CC(=O)NC1=O 2230a_100102712934_100000210312 [0,0,0,1,0,1|2,0,0]=4 3408 B13R1.3485 CC1=NN(C(=O)C1)CCOC(C)C 34a_100000190994_100000210206 [0,0,0,1,0,1|2,0,0]=4 3409 B13R1.4201 C[C@@]1(C[C@H](C1)NC(=O)CC(=O)N)O 240690a_100121572536_100134613110 [0,1,0,1,0,0|2,0,0]=4 3410 B13R1.4201 C[C@@]1(C[C@H](C1)NC(=O)CC(=O)N)O 527a_100121572536_100134613110 [0,1,0,1,0,0|2,0,0]=4 3411 B13R1.127 CC(C)(C)CCOC1CCC(=O)C1 34a_100012614533_100000755188 [0,1,0,1,0,0|1,0,1]=4 3412 B13R1.127 CC(C)(O)CCOC1CCC(=O)C1 34a_100012614533_100000702414 [0,1,0,1,0,0|1,0,1]=4 3413 B13R1.7463 CC1(CCN(C1)C(=O)CC(=O)N)C 240690a_100000764714_100134613110 [0,1,0,1,0,0|2,0,0]=4 3414 B13R1.7463 CC1(CCN(C1)C(=O)CC(=O)N)C 527a_100000764714_100134613110 [0,1,0,1,0,0|2,0,0]=4 3415 B13R1.7463 CC1(CCN(C1)C(=O)CC(=O)N)O 240690a_100000718628_100134613110 [0,1,0,1,0,0|2,0,0]=4 3416 B13R1.7463 CC1(CCN(C1)C(=O)CC(=O)N)O 527a_100000718628_100134613110 [0,1,0,1,0,0|2,0,0]=4 3417 B13R1.3427 C[C@@H]1CCN(C1)C(=O)CS(=O)(=O)C 11a_100016987628_100000744497 [0,1,0,1,0,0|2,0,0]=4 3418 B13R1.3427 C[C@@H]1CCN(C1)C(=O)CS(=O)(=O)C 240690a_100016987628_100000744497 [0,1,0,1,0,0|2,0,0]=4 3419 B13R1.3427 C[C@@H]1CCN(C1)C(=O)CS(=O)(=O)C 527a_100016987628_100000744497 [0,1,0,1,0,0|2,0,0]=4 3420 B13R1.7195 CS(=O)(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000744497 [0,1,0,1,0,0|2,0,0]=4 3421 B13R1.7195 CS(=O)(=O)CC(=O)NCCC1CC1 527a_100000764129_100000744497 [0,1,0,1,0,0|2,0,0]=4 3422 B13R1.10 CCC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000747405 [0,1,0,1,0,0|2,0,0]=4 3423 B13R1.10 CCC(=O)CC(=O)C1CCN(C1)C 1458a_100000739633_100000747405 [0,1,0,1,0,0|2,0,0]=4 3424 B13R1.10 CNC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000183359 [0,1,0,1,0,0|2,0,0]=4 3425 B13R1.10 CNC(=O)CC(=O)C1CCN(C1)C 1458a_100000739633_100000183359 [0,1,0,1,0,0|2,0,0]=4 3426 B13R1.10 COC(=O)CC(=O)C1CCC(C1)O 1458a_100000688591_100000747449 [0,1,0,1,0,0|2,0,0]=4 3427 B13R1.10 COC(=O)CC(=O)C1CCN(C1)C 1458a_100000739633_100000747449 [0,1,0,1,0,0|2,0,0]=4 3428 B13R1.10 COC(=O)CC(=O)N1CCC(C1)O 240690a_100011215560_100000211351 [0,1,0,1,0,0|2,0,0]=4 3429 B13R1.10 COC(=O)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211351 [0,1,0,1,0,0|2,0,0]=4 3430 B13R1.10 COC(=O)CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211351 [0,1,0,1,0,0|1,0,0]=3 3431 B13R1.149 CC(C)CCOC1CCCC(=O)C1 34a_100012613340_100000210312 [0,1,0,1,0,0|1,0,1]=4 3432 B13R1.149 CC(C)CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210312 [0,1,0,1,0,0|1,0,1]=4 3433 B13R1.440 COC(=O)CC(=O)NC1CC(C1)F 240690a_100016993743_100000211351 [0,1,0,1,0,0|2,0,0]=4 3434 B13R1.440 COC(=O)CC(=O)NC1CN(C1)C 240690a_100015196640_100000211351 [0,1,0,1,0,0|2,0,0]=4 3435 B13R1.440 COC(=O)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211351 [0,1,0,1,0,0|2,0,0]=4 3436 B13R1.442 CCC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000747405 [0,1,0,1,0,0|2,0,0]=4 3437 B13R1.442 CNC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000183359 [0,1,0,1,0,0|2,0,0]=4 3438 B13R1.442 COC(=O)CC(=O)CCCC1CO1 1458a_100000211351_100000733510 [0,1,0,1,0,0|2,0,0]=4 3439 B13R1.442 COC(=O)CC(=O)CSCC1CC1 1458a_200011316215_100000747449 [0,1,0,1,0,0|2,0,0]=4 3440 B13R1.442 COC(=O)CC(=O)CSCC1CC1 62a_100000210525_100000742324 [0,1,0,1,0,0|2,0,0]=4 3441 B13R1.442 COC(=O)CC(=O)CSCC1CC1 62a_100000756562_100000210525 [0,1,0,1,0,0|2,0,0]=4 3442 B13R1.442 COC(=O)CC(=O)NCCC1CC1 240690a_100000764129_100000211351 [0,1,0,1,0,0|1,0,0]=3 3443 B13R1.442 COC(=O)CC(=O)NNCC1CC1 22a_100000736359_100000211351 [0,1,0,1,0,0|2,0,0]=4 3444 B13R1.442 COC(=O)CC(C)OCCC1CC1 34a_100000754188_100009817358 [0,1,0,1,0,0|1,0,1]=4 3445 B13R1.442 COC(=O)CC(C)OCCC1CC1 7a_100000754188_100009817358 [0,1,0,1,0,0|1,0,1]=4 3446 B13R1.1787 COC(=O)CC(C)OCC1CC1C 34a_100000744939_100009817358 [0,1,0,1,0,0|1,0,1]=4 3447 B13R1.1787 COC(=O)CC(C)OCC1CC1C 7a_100000744939_100009817358 [0,1,0,1,0,0|1,0,1]=4 3448 B13R1.3699 CC(C)CCCC(=O)C1CCC1=O 1458a_100011216857_100009892977 [0,1,0,1,0,0|1,0,0]=3 3449 B13R1.3699 CC(C)COCC(=O)C1CCC1=O 1458a_100011223364_100009892977 [0,1,0,1,0,0|2,0,0]=4 3450 B13R1.58 CO[C@@H]1CCN(C1)C(=O)CC(=O)N 240690a_100000766984_100134613110 [0,1,0,1,0,0|2,0,0]=4 3451 B13R1.58 CO[C@@H]1CCN(C1)C(=O)CC(=O)N 527a_100000766984_100134613110 [0,1,0,1,0,0|2,0,0]=4 3452 B13R1.58 NC(=O)CC(=O)N1CCC(C1)CO 240690a_100000748654_100134613110 [0,1,0,1,0,0|2,0,0]=4 3453 B13R1.58 NC(=O)CC(=O)N1CCC(C1)CO 527a_100000748654_100134613110 [0,1,0,1,0,0|2,0,0]=4 3454 B13R1.132 C=C(C)CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_100000748629 [0,1,0,1,0,0|2,0,0]=4 3455 B13R1.132 CC(=O)CC(=O)N1CCC(CC1)C 1458a_100000070787_100000182867 [0,1,0,1,0,0|1,0,0]=3 3456 B13R1.132 CC(=O)CC(=O)N1CCN(CC1)C 1458a_100000070787_100000684168 [0,1,0,1,0,0|2,0,0]=4 3457 B13R1.132 CC(=O)CC(=O)N1CCN(CC1)C 1458a_200011623756_200000210301 [0,1,0,1,0,0|2,0,0]=4 3458 B13R1.132 CC1CCC(CC1)C(=O)CC(=O)N 1458a_100134613110_200011216234 [0,1,0,1,0,0|2,0,0]=4 3459 B13R1.132 CC1CCN(CC1)C(=O)CC(=O)N 240690a_100000188429_100134613110 [0,1,0,1,0,0|2,0,0]=4 3460 B13R1.132 CC1CCN(CC1)C(=O)CC(=O)N 527a_100000188429_100134613110 [0,1,0,1,0,0|2,0,0]=4 3461 B13R1.132 CN1CCN(CC1)C(=O)CC(=O)[13CH3] 1458a_200011623756_200025704644 [0,1,0,1,0,0|2,0,0]=4 3462 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(=O)N 1458a_100009815934_100000187820 [0,1,0,1,0,0|2,0,0]=4 3463 B13R1.132 C[C@H]1CC[C@@H](CC1)C(=O)CC(=O)[O-] 1458a_100009815934_100020667443 [0,1,0,1,0,0|2,0,0]=4 3464 B13R1.2027 CC(=O)CC(=O)OCCN1CCC1 269982a_100000754969_100000102702 [0,1,0,1,0,0|1,0,0]=3 3465 B13R1.2327 CO[C@H]1C[C@@H](C1)NC(=O)CC(=O)N 240690a_100121570643_100134613110 [0,1,0,1,0,0|2,0,0]=4 3466 B13R1.2327 CO[C@H]1C[C@@H](C1)NC(=O)CC(=O)N 527a_100121570643_100134613110 [0,1,0,1,0,0|2,0,0]=4 3467 B13R1.2327 NC(=O)CC(=O)NC1CC(C1)CO 240690a_100000095622_100134613110 [0,1,0,1,0,0|2,0,0]=4 3468 B13R1.2327 NC(=O)CC(=O)NC1CC(C1)CO 527a_100000095622_100134613110 [0,1,0,1,0,0|2,0,0]=4 3469 B13R1.130 CC(=O)C(C)C(=O)C1CCC(C1)O 1458a_100000688591_100000179758 [0,1,0,1,0,0|2,0,0]=4 3470 B13R1.130 CC(=O)C(C)C(=O)C1CCN(C1)C 1458a_100000739633_100000179758 [0,1,0,1,0,0|2,0,0]=4 3471 B13R1.1058 CC(=O)C(C)C(=O)CSCC1CC1 1458a_200011316215_100000179758 [0,1,0,1,0,0|2,0,0]=4 3472 B13R1.1099 NC(=O)CC(=O)NCC(O)C1CC1 240690a_100000751198_100134613110 [0,1,0,1,0,0|2,0,0]=4 3473 B13R1.1099 NC(=O)CC(=O)NCC(O)C1CC1 527a_100000751198_100134613110 [0,1,0,1,0,0|2,0,0]=4 3474 B13R1.3448 C[C@@H]1CN(C[C@@H]1O)C(=O)CC(=O)N 240690a_200015306588_100134613110 [0,1,0,1,0,0|2,0,0]=4 3475 B13R1.3448 C[C@@H]1CN(C[C@@H]1O)C(=O)CC(=O)N 527a_200015306588_100134613110 [0,1,0,1,0,0|2,0,0]=4 3476 B13R1.1077 CC(=O)CC(C)(C)OCCC1CC1 7a_100000210262_100000764125 [0,1,0,1,0,0|1,0,1]=4 3477 B13R2.10121 NC(=O)CC(=O)N1CC2CC2C1 240690a_100000741873_100134613110 [0,0,0,2,0,0|2,0,0]=4 3478 B13R2.10121 NC(=O)CC(=O)N1CC2CC2C1 527a_100000741873_100134613110 [0,0,0,2,0,0|2,0,0]=4 3479 B13R2.2973 O=C1CCC(C1)OCCC2CC2 34a_100012614533_100000694398 [0,0,0,2,0,0|1,0,1]=4 3480 B13R2.10129 NC(=O)CC(=O)NC12CC(C1)C2 240690a_100016993715_100134613110 [0,0,0,2,0,0|2,0,0]=4 3481 B13R2.10129 NC(=O)CC(=O)NC12CC(C1)C2 527a_100016993715_100134613110 [0,0,0,2,0,0|2,0,0]=4 3482 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100000181311_100000184674 [1,0,0,0,1,0|0,0,2]=4 3483 B9R0.48 C#CCC(=O)CCC(C)C 1458a_100011220946_100000210312 [1,0,0,0,1,0|0,0,2]=4 3484 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000181311_100000210623 [1,0,0,0,1,0|0,0,1]=3 3485 B9R0.48 C=CCC(=O)CCC(C)C 1458a_100000210193_100000210312 [1,0,0,0,1,0|0,0,1]=3 3486 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [1,0,0,0,1,0|1,0,1]=4 3487 B9R0.48 C=CCC(=O)CC[S+](C)C 1458a_100009452791_100000210623 [1,0,0,0,1,0|1,0,1]=4 3488 B9R0.48 C=CCC(=O)COC(C)C 1458a_100000745533_100000210623 [1,0,0,0,1,0|1,0,1]=4 3489 B9R0.48 C=CCC(=O)CSC(C)C 1458a_100000241585_100000210623 [1,0,0,0,1,0|1,0,1]=4 3490 B9R0.48 C=CCC(=O)NCC(C)C 11a_100000210953_100000210193 [1,0,0,0,1,0|1,0,1]=4 3491 B9R0.48 C=CCC(=O)NCC(C)C 1626a_100000210953_100000210193 [1,0,0,0,1,0|1,0,1]=4 3492 B9R0.48 C=CCC(=O)NCC(C)C 240690a_100000210953_100000210193 [1,0,0,0,1,0|1,0,1]=4 3493 B9R0.48 C=CCC(=O)NCC(C)C 527a_100000210953_100000210193 [1,0,0,0,1,0|1,0,1]=4 3494 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [1,0,0,0,1,0|0,0,2]=4 3495 B9R0.48 CC(C)CCC(=O)C=CBr 1458a_100016273825_100000210312 [1,0,0,0,1,0|1,0,1]=4 3496 B9R0.48 CC(C)CCC(=O)C=CCl 1458a_200016279998_100000210312 [1,0,0,0,1,0|1,0,1]=4 3497 B9R0.48 CC(C)CCC(=O)C=CI 1458a_100016256311_100000210312 [1,0,0,0,1,0|1,0,1]=4 3498 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100000181311_100011214920 [1,0,0,0,1,0|1,0,1]=4 3499 B9R0.48 CC(C)CCC(=O)CC#N 1458a_100051588842_100000210312 [1,0,0,0,1,0|1,0,1]=4 3500 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,0,0,0,1,0|1,0,1]=4 3501 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,0,0,0,1,0|0,0,2]=4 3502 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,0,0,0,1,0|0,0,2]=4 3503 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [1,0,0,0,1,0|2,0,0]=4 3504 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [1,0,0,0,1,0|2,0,0]=4 3505 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_100000183291_200025704644 [1,0,0,0,1,0|2,0,0]=4 3506 B9R0.48 CC(C)CNC(=O)CS[13CH3] 62a_200025704644_100000183291 [1,0,0,0,1,0|2,0,0]=4 3507 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,0,0,0,1,0|0,0,1]=3 3508 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,0,0,0,1,0|1,0,1]=4 3509 B9R0.48 CC=CC(=O)NCC(C)C 11a_100000210953_100000210699 [1,0,0,0,1,0|1,0,1]=4 3510 B9R0.48 CC=CC(=O)NCC(C)C 1626a_100000210953_100000210699 [1,0,0,0,1,0|1,0,1]=4 3511 B9R0.48 CC=CC(=O)NCC(C)C 240690a_100000210953_100000210699 [1,0,0,0,1,0|1,0,1]=4 3512 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,0,0,0,1,0|0,0,1]=3 3513 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,0,0,0,1,0|0,0,1]=3 3514 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,0,0,0,1,0|1,0,1]=4 3515 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,0,0,0,1,0|1,0,1]=4 3516 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,0,0,0,1,0|1,0,1]=4 3517 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,0,0,0,1,0|1,0,1]=4 3518 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,0,0,0,1,0|1,0,1]=4 3519 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,0,0,0,1,0|1,0,1]=4 3520 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,0,0,0,1,0|1,0,1]=4 3521 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,0,0,0,1,0|1,0,1]=4 3522 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,0,0,0,1,0|1,0,1]=4 3523 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,0,0,0,1,0|1,0,1]=4 3524 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,0,0,0,1,0|1,0,1]=4 3525 B9R0.48 CCCC(=O)OCN(C)C 2230a_100102631434_100000034017 [1,0,0,0,1,0|1,0,1]=4 3526 B9R0.48 CCCC(=O)OCN(C)C 269982a_100102631434_100000034017 [1,0,0,0,1,0|1,0,1]=4 3527 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,0,0,0,1,0|1,0,1]=4 3528 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,0,0,0,1,0|1,0,1]=4 3529 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,0,0,0,1,0|1,0,1]=4 3530 B9R0.48 CNCC(=O)NCC(C)C 2230a_106832991635_100000183291 [1,0,0,0,1,0|2,0,0]=4 3531 B9R0.48 CNCC(=O)NCC(C)C 34a_100102657272_100000183291 [1,0,0,0,1,0|2,0,0]=4 3532 B9R0.48 CNCC(=O)NCC(C)C 7a_106832991635_100000183291 [1,0,0,0,1,0|2,0,0]=4 3533 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [1,0,0,0,1,0|2,0,0]=4 3534 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,0,0,0,1,0|1,0,0]=3 3535 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,0,0,0,1,0|2,0,0]=4 3536 B9R0.48 COCC(=O)NCC(C)C 11a_100000210953_100000210968 [1,0,0,0,1,0|2,0,0]=4 3537 B9R0.48 COCC(=O)NCC(C)C 1626a_100000210953_100000210968 [1,0,0,0,1,0|2,0,0]=4 3538 B9R0.48 COCC(=O)NCC(C)C 240690a_100000210953_100000210968 [1,0,0,0,1,0|2,0,0]=4 3539 B9R0.48 COCC(=O)NCC(C)C 34a_100138415774_100000183291 [1,0,0,0,1,0|2,0,0]=4 3540 B9R0.48 COCC(=O)NCC(C)C 527a_100000210953_100000210968 [1,0,0,0,1,0|2,0,0]=4 3541 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,0,0,0,1,0|1,0,0]=3 3542 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,0,0,0,1,0|2,0,0]=4 3543 B9R0.48 CSCC(=O)NCC(C)C 11a_100000210953_100000184570 [1,0,0,0,1,0|2,0,0]=4 3544 B9R0.48 CSCC(=O)NCC(C)C 1626a_100000210953_100000184570 [1,0,0,0,1,0|2,0,0]=4 3545 B9R0.48 CSCC(=O)NCC(C)C 240690a_100000210953_100000184570 [1,0,0,0,1,0|2,0,0]=4 3546 B9R0.48 CSCC(=O)NCC(C)C 527a_100000210953_100000184570 [1,0,0,0,1,0|2,0,0]=4 3547 B9R0.48 CSCC(=O)NCC(C)C 62a_100000183291_200000210301 [1,0,0,0,1,0|2,0,0]=4 3548 B9R0.48 CSCC(=O)NCC(C)C 62a_200000210301_100000183291 [1,0,0,0,1,0|2,0,0]=4 3549 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [1,0,0,0,1,0|2,0,0]=4 3550 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [1,0,0,0,1,0|2,0,0]=4 3551 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [1,0,0,0,1,0|2,0,0]=4 3552 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [1,0,0,0,1,0|2,0,0]=4 3553 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [1,0,0,0,1,0|2,0,0]=4 3554 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [1,0,0,0,1,0|2,0,0]=4 3555 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [1,0,0,0,1,0|2,0,0]=4 3556 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [1,0,0,0,1,0|2,0,0]=4 3557 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [1,0,0,0,1,0|2,0,0]=4 3558 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [1,0,0,0,1,0|2,0,0]=4 3559 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [1,0,0,0,1,0|2,0,0]=4 3560 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [1,0,0,0,1,0|2,0,0]=4 3561 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,0,0,0,1,0|1,0,1]=4 3562 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,0,0,0,1,0|1,0,1]=4 3563 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [1,0,0,0,1,0|2,0,0]=4 3564 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [1,0,0,0,1,0|2,0,0]=4 3565 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [1,0,0,0,1,0|2,0,0]=4 3566 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [1,0,0,0,1,0|0,0,2]=4 3567 B9R0.55 C=C(C)CCOCC(C)C 34a_100000210257_100000730704 [1,0,0,0,1,0|1,0,1]=4 3568 B9R0.55 C=C(C)CCOCC(C)C 34a_100000764851_100000210624 [1,0,0,0,1,0|1,0,1]=4 3569 B9R0.55 C=C(C)COCCC(C)Br 34a_100009893172_100000748629 [1,0,0,0,1,0|2,0,0]=4 3570 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [1,0,0,0,1,0|1,0,0]=3 3571 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [1,0,0,0,1,0|1,0,0]=3 3572 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [1,0,0,0,1,0|1,0,0]=3 3573 B9R0.55 C=C(C)COCCC(C)O 34a_100000210245_100012276601 [1,0,0,0,1,0|2,0,0]=4 3574 B9R0.55 C=C(C)COCC[C@@H](C)N 34a_100000706166_100000748629 [1,0,0,0,1,0|2,0,0]=4 3575 B9R0.55 C=C(C)COCOC(C)C 34a_100000210245_100000709892 [1,0,0,0,1,0|2,0,0]=4 3576 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [1,0,0,0,1,0|1,1,0]=4 3577 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [1,0,0,0,1,0|1,1,0]=4 3578 B9R0.55 C=C(F)COCCC(C)C 34a_100000210254_100009893438 [1,0,0,0,1,0|1,0,1]=4 3579 B9R0.55 C=C(F)COCCC(C)C 34a_200010262243_100000210312 [1,0,0,0,1,0|1,0,1]=4 3580 B9R0.55 C=C(F)COCCC(C)C 7a_100000210254_100000042424 [1,0,0,0,1,0|1,0,1]=4 3581 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,0,0,0,1,0|0,0,1]=3 3582 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,0,0,0,1,0|0,0,1]=3 3583 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,0,0,0,1,0|1,0,1]=4 3584 B9R0.55 CC(=O)CCCNC(C)C 34a_100138425928_100000685027 [1,0,0,0,1,0|1,0,1]=4 3585 B9R0.55 CC(=O)CCCOC(C)C 34a_100000212225_100000685027 [1,0,0,0,1,0|1,0,1]=4 3586 B9R0.55 CC(=O)CCCOC(C)C 34a_100000759063_100000210206 [1,0,0,0,1,0|1,0,1]=4 3587 B9R0.55 CC(=O)CCCOC(C)C 7a_100000759063_100000210206 [1,0,0,0,1,0|1,0,1]=4 3588 B9R0.55 CC(=O)CCCSC(C)C 62a_100000210206_100011215641 [1,0,0,0,1,0|1,0,1]=4 3589 B9R0.55 CC(=O)CCCSC(C)C 62a_100011215641_100000210206 [1,0,0,0,1,0|1,0,1]=4 3590 B9R0.55 CC(=O)CCOCC(C)C 34a_100000759926_100000210624 [1,0,0,0,1,0|0,0,1]=3 3591 B9R0.55 CC(=O)CCOCC(C)C 7a_100000759926_100000210760 [1,0,0,0,1,0|0,0,1]=3 3592 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [1,0,0,0,1,0|1,0,1]=4 3593 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [1,0,0,0,1,0|1,0,1]=4 3594 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [1,0,0,0,1,0|1,0,1]=4 3595 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [1,0,0,0,1,0|1,0,1]=4 3596 B9R0.55 CC(=O)CCSCC(C)C 62a_100000053229_100000210760 [1,0,0,0,1,0|0,1,1]=4 3597 B9R0.55 CC(=O)CCSCC(C)C 62a_100000210624_100000053229 [1,0,0,0,1,0|0,1,1]=4 3598 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,0,0,0,1,0|0,0,2]=4 3599 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,0,0,0,1,0|0,0,0]=2 3600 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [1,0,0,0,1,0|1,0,0]=3 3601 B9R0.55 CC(=O)COCOC(C)C 34a_100000211253_100000709892 [1,0,0,0,1,0|1,0,0]=3 3602 B9R0.55 CC(=O)NCCCC(C)C 11a_200000737386_100015343762 [1,0,0,0,1,0|1,0,1]=4 3603 B9R0.55 CC(=O)NCCCC(C)C 1626a_200000737386_100015343762 [1,0,0,0,1,0|1,0,1]=4 3604 B9R0.55 CC(=O)NCCCC(C)C 240690a_200000737386_100015343762 [1,0,0,0,1,0|1,0,1]=4 3605 B9R0.55 CC(=O)NCCCC(C)C 527a_200000737386_100103153847 [1,0,0,0,1,0|1,0,1]=4 3606 B9R0.55 CC(=O)OCOCC(C)C 34a_100000210257_100009813279 [1,0,0,0,1,0|1,0,1]=4 3607 B9R0.55 CC(Br)CCOCC(=O)N 34a_100009893172_100000187820 [1,0,0,0,1,0|2,0,0]=4 3608 B9R0.55 CC(Br)CCOCC(=O)[O-] 34a_100009893172_100020667443 [1,0,0,0,1,0|2,0,0]=4 3609 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,0,0,0,1,0|0,0,1]=3 3610 B9R0.55 CC(C)CCNCC(=O)N 2230a_100000711301_100000210312 [1,0,0,0,1,0|2,0,0]=4 3611 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,0,0,0,1,0|2,0,0]=4 3612 B9R0.55 CC(C)CCOCC(=O)N 34a_100000210254_100000187820 [1,0,0,0,1,0|1,0,0]=3 3613 B9R0.55 CC(C)CCOCC(=O)N 7a_100000210254_100000187820 [1,0,0,0,1,0|1,0,0]=3 3614 B9R0.55 CC(C)CCOCC(=O)[O-] 34a_100000210254_100020667443 [1,0,0,0,1,0|1,0,0]=3 3615 B9R0.55 CC(C)CCOCC(C)Br 34a_100012180447_100000210312 [1,0,0,0,1,0|1,0,1]=4 3616 B9R0.55 CC(C)CCOCC(C)C 34a_100000210254_100000210624 [1,0,0,0,1,0|1,0,1]=4 3617 B9R0.55 CC(C)CCOCC(C)C 34a_100000210257_100000210312 [1,0,0,0,1,0|1,0,1]=4 3618 B9R0.55 CC(C)CCOCC(C)C 7a_100000210254_100000210760 [1,0,0,0,1,0|1,0,1]=4 3619 B9R0.55 CC(C)CCOCC(C)F 34a_100015925927_100000210312 [1,0,0,0,1,0|1,0,1]=4 3620 B9R0.55 CC(C)CCOCC(C)O 34a_100000210254_100011218427 [1,0,0,0,1,0|0,0,2]=4 3621 B9R0.55 CC(C)CCOCC(C)O 7a_100000210254_100011218427 [1,0,0,0,1,0|0,0,2]=4 3622 B9R0.55 CC(C)CCOC[C@@H](C)Cl 34a_100016084084_100000210312 [1,0,0,0,1,0|1,0,1]=4 3623 B9R0.55 CC(C)CCOC[C@@H](C)N 34a_100000737577_100000210312 [1,0,0,0,1,0|1,0,1]=4 3624 B9R0.55 CC(C)CCOC[C@@H](C)O 34a_100000210254_100009817552 [1,0,0,0,1,0|0,0,2]=4 3625 B9R0.55 CC(C)CCOC[C@@H](C)O 7a_100000210254_100009817552 [1,0,0,0,1,0|0,0,2]=4 3626 B9R0.55 CC(C)CCOC[N+](=O)[O-] 34a_100000210254_100000761209 [1,0,0,0,1,0|2,0,0]=4 3627 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,0,0,0,1,0|1,1,0]=4 3628 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,0,0,0,1,0|1,1,0]=4 3629 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,0,0,0,1,0|1,1,0]=4 3630 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,0,0,0,1,0|1,1,0]=4 3631 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [1,0,0,0,1,0|2,0,0]=4 3632 B9R0.55 CC(C)COCCC(=O)N 34a_100000210257_100000731001 [1,0,0,0,1,0|1,0,1]=4 3633 B9R0.55 CC(C)COCCC(=O)N 34a_100000757172_100000210624 [1,0,0,0,1,0|1,0,1]=4 3634 B9R0.55 CC(C)COCCC(=O)N 7a_100000757172_100000210760 [1,0,0,0,1,0|1,0,1]=4 3635 B9R0.55 CN(C)CCOCC(=O)N 2230a_100102631434_100000076697 [1,0,0,0,1,0|2,0,0]=4 3636 B9R0.55 CN(C)CCOCC(=O)N 269982a_100102631434_100000076697 [1,0,0,0,1,0|2,0,0]=4 3637 B9R0.55 C[C@@H](N)CCOCC(=O)N 34a_100000706166_100000187820 [1,0,0,0,1,0|2,0,0]=4 3638 B9R0.55 C[C@@H](N)CCOCC(=O)[O-] 34a_100000706166_100020667443 [1,0,0,0,1,0|2,0,0]=4 3639 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,0,0,0,2,0|1,0,0]=3 3640 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,0,0,0,2,0|2,0,0]=4 3641 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,0,0,0,2,0|2,0,0]=4 3642 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,0,0,0,2,0|2,0,0]=4 3643 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,0,0,0,2,0|1,0,0]=3 3644 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,0,0,0,2,0|1,0,0]=3 3645 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,0,0,0,2,0|1,0,0]=3 3646 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,0,0,0,2,0|1,0,0]=3 3647 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,0,0,0,2,0|1,0,0]=3 3648 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,2,0|1,0,1]=4 3649 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,0,0,2,0|1,0,1]=4 3650 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,0,0,2,0|2,0,0]=4 3651 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,0,0,2,0|2,0,0]=4 3652 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,0,0,2,0|2,0,0]=4 3653 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,0,0,2,0|2,0,0]=4 3654 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,0,0,0,2,0|1,0,1]=4 3655 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,0,0,0,2,0|1,0,1]=4 3656 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,0,0,0,2,0|1,0,1]=4 3657 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,0,0,0,2,0|2,0,0]=4 3658 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,0,0,0,2,0|2,0,0]=4 3659 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,0,0,0,2,0|2,0,0]=4 3660 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,0,0,0,2,0|2,0,0]=4 3661 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,0,0,0,2,0|0,0,2]=4 3662 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,0,0,0,2,0|0,0,2]=4 3663 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,0,0,0,2,0|2,0,0]=4 3664 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,0,0,0,2,0|1,0,0]=3 3665 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,0,0,0,2,0|1,0,0]=3 3666 B9R0.53 C=C(C)CC(=O)CN(C)C 1458a_100000750896_100000748629 [0,0,0,0,2,0|2,0,0]=4 3667 B9R0.53 C=C(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748629 [0,0,0,0,2,0|2,0,0]=4 3668 B9R0.53 C=C(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748629 [0,0,0,0,2,0|2,0,0]=4 3669 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,0,0,0,2,0|1,0,1]=4 3670 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,0,0,0,2,0|1,0,1]=4 3671 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,0,0,0,2,0|1,0,1]=4 3672 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,0,0,0,2,0|1,0,1]=4 3673 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,0,0,0,2,0|1,0,0]=3 3674 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,0,0,0,2,0|0,0,0]=2 3675 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,0,0,0,2,0|2,0,0]=4 3676 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,2,0|1,0,0]=3 3677 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,2,0|1,0,0]=3 3678 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,2,0|1,0,0]=3 3679 B9R0.53 CC(C)CC(=O)CC(C)C 1458a_100000210554_100000210624 [0,0,0,0,2,0|1,0,1]=4 3680 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,0,0,2,0|0,0,2]=4 3681 B9R0.53 CC(C)CC(=O)CN(C)C 1458a_100000750896_100000210624 [0,0,0,0,2,0|2,0,0]=4 3682 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,0,0,2,0|0,0,2]=4 3683 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,0,0,0,2,0|2,0,0]=4 3684 B9R0.53 CC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000210624 [0,0,0,0,2,0|2,0,0]=4 3685 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,0,0,0,2,0|2,0,0]=4 3686 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,0,0,0,2,0|2,0,0]=4 3687 B9R0.53 CC(C)OC(=O)CN(C)C 2230a_100102631434_100011215430 [0,0,0,0,2,0|2,0,0]=4 3688 B9R0.53 CC(C)OC(=O)CN(C)C 269982a_100102631434_100011215430 [0,0,0,0,2,0|2,0,0]=4 3689 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,0,0,0,2,0|2,0,0]=4 3690 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,0,0,0,2,0|2,0,0]=4 3691 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,0,0,0,2,0|2,0,0]=4 3692 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,0,0,0,2,0|2,0,0]=4 3693 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,0,0,0,2,0|2,0,0]=4 3694 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,0,0,0,2,0|2,0,0]=4 3695 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,0,0,0,2,0|2,0,0]=4 3696 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100000210193_100011216152 [1,0,0,0,0,1|1,0,1]=4 3697 B11R0.176 C=CCC(=O)CCCCC(C)C 1458a_100011933920_100000210623 [1,0,0,0,0,1|1,0,1]=4 3698 B11R0.176 C=CCC(=O)NCCCC(C)C 11a_200000737386_100000210193 [1,0,0,0,0,1|1,0,1]=4 3699 B11R0.176 C=CCC(=O)NCCCC(C)C 1626a_200000737386_100000210193 [1,0,0,0,0,1|1,0,1]=4 3700 B11R0.176 C=CCC(=O)NCCCC(C)C 240690a_200000737386_100000210193 [1,0,0,0,0,1|1,0,1]=4 3701 B11R0.176 C=CCC(=O)NCCCC(C)C 527a_200000737386_100000210193 [1,0,0,0,0,1|1,0,1]=4 3702 B11R0.176 C=CCC(=O)NCCOC(C)C 11a_100000701111_100000210193 [1,0,0,0,0,1|1,0,1]=4 3703 B11R0.176 C=CCC(=O)NCCOC(C)C 1626a_100000701111_100000210193 [1,0,0,0,0,1|1,0,1]=4 3704 B11R0.176 C=CCC(=O)NCCOC(C)C 240690a_100000701111_100000210193 [1,0,0,0,0,1|1,0,1]=4 3705 B11R0.176 C=CCC(=O)NCCOC(C)C 527a_100000701111_100000210193 [1,0,0,0,0,1|1,0,1]=4 3706 B11R0.176 C=CCC(=O)NCCSC(C)C 11a_100000731138_100000210193 [1,0,0,0,0,1|1,0,1]=4 3707 B11R0.176 C=CCC(=O)NCCSC(C)C 1626a_100000731138_100000210193 [1,0,0,0,0,1|1,0,1]=4 3708 B11R0.176 C=CCC(=O)NCCSC(C)C 240690a_100000731138_100000210193 [1,0,0,0,0,1|1,0,1]=4 3709 B11R0.176 C=CCC(=O)NCCSC(C)C 527a_100000731138_100000210193 [1,0,0,0,0,1|1,0,1]=4 3710 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [1,0,0,0,0,1|1,0,1]=4 3711 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [1,0,0,0,0,1|1,0,1]=4 3712 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [1,0,0,0,0,1|1,0,1]=4 3713 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [1,0,0,0,0,1|1,0,1]=4 3714 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [1,0,0,0,0,1|1,0,1]=4 3715 B11R0.176 CC=CC(=O)NCCOC(C)C 11a_100000701111_100000210699 [1,0,0,0,0,1|1,0,1]=4 3716 B11R0.176 CC=CC(=O)NCCOC(C)C 1626a_100000701111_100000210699 [1,0,0,0,0,1|1,0,1]=4 3717 B11R0.176 CC=CC(=O)NCCOC(C)C 240690a_100000701111_100000210699 [1,0,0,0,0,1|1,0,1]=4 3718 B11R0.176 CC=CC(=O)NCCSC(C)C 11a_100000731138_100000210699 [1,0,0,0,0,1|1,0,1]=4 3719 B11R0.176 CC=CC(=O)NCCSC(C)C 1626a_100000731138_100000210699 [1,0,0,0,0,1|1,0,1]=4 3720 B11R0.176 CC=CC(=O)NCCSC(C)C 240690a_100000731138_100000210699 [1,0,0,0,0,1|1,0,1]=4 3721 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [1,0,0,0,0,1|1,0,1]=4 3722 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [1,0,0,0,0,1|1,0,1]=4 3723 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [1,0,0,0,0,1|0,0,1]=3 3724 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [1,0,0,0,0,1|0,1,1]=4 3725 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [1,0,0,0,0,1|0,1,1]=4 3726 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [1,0,0,0,0,1|1,0,1]=4 3727 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [1,0,0,0,0,1|1,0,1]=4 3728 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [1,0,0,0,0,1|1,0,1]=4 3729 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [1,0,0,0,0,1|1,0,1]=4 3730 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [1,0,0,0,0,1|1,0,1]=4 3731 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [1,0,0,0,0,1|1,0,1]=4 3732 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [1,0,0,0,0,1|1,0,1]=4 3733 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [1,0,0,0,0,1|1,0,1]=4 3734 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [1,0,0,0,0,1|1,0,1]=4 3735 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [1,0,0,0,0,1|1,0,1]=4 3736 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [1,0,0,0,0,1|1,0,1]=4 3737 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [1,0,0,0,0,1|1,0,1]=4 3738 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [1,0,0,0,0,1|0,0,1]=3 3739 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [1,0,0,0,0,1|0,0,1]=3 3740 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [1,0,0,0,0,1|1,0,1]=4 3741 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [1,0,0,0,0,1|1,0,1]=4 3742 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [1,0,0,0,0,1|1,0,1]=4 3743 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [1,0,0,0,0,1|0,0,1]=3 3744 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [1,0,0,0,0,1|1,0,1]=4 3745 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [1,0,0,0,0,1|1,0,1]=4 3746 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [1,0,0,0,0,1|1,0,1]=4 3747 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [1,0,0,0,0,1|0,0,1]=3 3748 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [1,0,0,0,0,1|1,0,1]=4 3749 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [1,0,0,0,0,1|1,0,1]=4 3750 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [1,0,0,0,0,1|1,0,1]=4 3751 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [1,0,0,0,0,1|1,0,1]=4 3752 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [1,0,0,0,0,1|1,0,1]=4 3753 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [1,0,0,0,0,1|1,0,1]=4 3754 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [1,0,0,0,0,1|1,0,1]=4 3755 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [1,0,0,0,0,1|2,0,0]=4 3756 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [1,0,0,0,0,1|2,0,0]=4 3757 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [1,0,0,0,0,1|2,0,0]=4 3758 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [1,0,0,0,0,1|2,0,0]=4 3759 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [1,0,0,0,0,1|2,0,0]=4 3760 B11R0.176 COCC(=O)NCCOC(C)C 11a_100000701111_100000210968 [1,0,0,0,0,1|2,0,0]=4 3761 B11R0.176 COCC(=O)NCCOC(C)C 1626a_100000701111_100000210968 [1,0,0,0,0,1|2,0,0]=4 3762 B11R0.176 COCC(=O)NCCOC(C)C 240690a_100000701111_100000210968 [1,0,0,0,0,1|2,0,0]=4 3763 B11R0.176 COCC(=O)NCCOC(C)C 527a_100000701111_100000210968 [1,0,0,0,0,1|2,0,0]=4 3764 B11R0.176 COCC(=O)NCCSC(C)C 11a_100000731138_100000210968 [1,0,0,0,0,1|2,0,0]=4 3765 B11R0.176 COCC(=O)NCCSC(C)C 1626a_100000731138_100000210968 [1,0,0,0,0,1|2,0,0]=4 3766 B11R0.176 COCC(=O)NCCSC(C)C 240690a_100000731138_100000210968 [1,0,0,0,0,1|2,0,0]=4 3767 B11R0.176 COCC(=O)NCCSC(C)C 527a_100000731138_100000210968 [1,0,0,0,0,1|2,0,0]=4 3768 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [1,0,0,0,0,1|2,0,0]=4 3769 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [1,0,0,0,0,1|2,0,0]=4 3770 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [1,0,0,0,0,1|2,0,0]=4 3771 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [1,0,0,0,0,1|2,0,0]=4 3772 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [1,0,0,0,0,1|2,0,0]=4 3773 B11R0.176 CSCC(=O)NCCOC(C)C 11a_100000701111_100000184570 [1,0,0,0,0,1|2,0,0]=4 3774 B11R0.176 CSCC(=O)NCCOC(C)C 1626a_100000701111_100000184570 [1,0,0,0,0,1|2,0,0]=4 3775 B11R0.176 CSCC(=O)NCCOC(C)C 240690a_100000701111_100000184570 [1,0,0,0,0,1|2,0,0]=4 3776 B11R0.176 CSCC(=O)NCCOC(C)C 527a_100000701111_100000184570 [1,0,0,0,0,1|2,0,0]=4 3777 B11R0.176 CSCC(=O)NCCSC(C)C 11a_100000731138_100000184570 [1,0,0,0,0,1|2,0,0]=4 3778 B11R0.176 CSCC(=O)NCCSC(C)C 1626a_100000731138_100000184570 [1,0,0,0,0,1|2,0,0]=4 3779 B11R0.176 CSCC(=O)NCCSC(C)C 240690a_100000731138_100000184570 [1,0,0,0,0,1|2,0,0]=4 3780 B11R0.176 CSCC(=O)NCCSC(C)C 527a_100000731138_100000184570 [1,0,0,0,0,1|2,0,0]=4 3781 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [1,0,0,0,0,1|2,0,0]=4 3782 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [1,0,0,0,0,1|2,0,0]=4 3783 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [1,0,0,0,0,1|2,0,0]=4 3784 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [1,0,0,0,0,1|2,0,0]=4 3785 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [1,0,0,0,0,1|2,0,0]=4 3786 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [1,0,0,0,0,1|2,0,0]=4 3787 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [1,0,0,0,0,1|2,0,0]=4 3788 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [1,0,0,0,0,1|2,0,0]=4 3789 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [1,0,0,0,0,1|2,0,0]=4 3790 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [1,0,0,0,0,1|2,0,0]=4 3791 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [1,0,0,0,0,1|2,0,0]=4 3792 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [1,0,0,0,0,1|2,0,0]=4 3793 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [1,0,0,0,0,1|2,0,0]=4 3794 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [1,0,0,0,0,1|2,0,0]=4 3795 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [1,0,0,0,0,1|2,0,0]=4 3796 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [1,0,0,0,0,1|2,0,0]=4 3797 B11R0.46 CC(=O)CCC(=O)OCCC#N 1458a_200009922858_200000210301 [1,0,0,0,0,1|1,0,1]=4 3798 B11R0.46 CC(=O)NCC(=O)CCCCF 1458a_100000194580_100000729493 [1,0,0,0,0,1|2,0,0]=4 3799 B11R0.46 CC(=O)NCC(=O)CCCCO 1458a_100000194580_100000210776 [1,0,0,0,0,1|2,0,0]=4 3800 B11R0.46 CC(=O)NCC(=O)NCCCF 11a_100015189416_100000194580 [1,0,0,0,0,1|2,0,0]=4 3801 B11R0.46 CC(=O)NCC(=O)NCCCF 1626a_100015189416_100000194580 [1,0,0,0,0,1|2,0,0]=4 3802 B11R0.46 CC(=O)NCC(=O)NCCCF 240690a_100015189416_100000194580 [1,0,0,0,0,1|2,0,0]=4 3803 B11R0.46 CC(=O)NCC(=O)NCCCF 527a_100015189416_100000194580 [1,0,0,0,0,1|2,0,0]=4 3804 B11R0.46 CC(=O)NCC(=O)NCCCO 240690a_100000182051_100000194580 [1,0,0,0,0,1|2,0,0]=4 3805 B11R0.46 CC(=O)NCC(=O)NCCCO 527a_100000182051_100000194580 [1,0,0,0,0,1|2,0,0]=4 3806 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [1,0,0,0,0,1|2,0,0]=4 3807 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [1,0,0,0,0,1|2,0,0]=4 3808 B11R0.46 CC(=O)OCC(=O)NCCCF 1626a_100015189416_100000183556 [1,0,0,0,0,1|2,0,0]=4 3809 B11R0.46 CC(=O)OCC(=O)NCCCF 240690a_100015189416_100000183556 [1,0,0,0,0,1|2,0,0]=4 3810 B11R0.46 CC(=O)OCC(=O)NCCCF 527a_100015189416_100000183556 [1,0,0,0,0,1|2,0,0]=4 3811 B11R0.46 CC(=O)OCC(=O)NCCCO 240690a_100000182051_100000183556 [1,0,0,0,0,1|2,0,0]=4 3812 B11R0.46 CC(=O)OCC(=O)NCCCO 527a_100000182051_100000183556 [1,0,0,0,0,1|2,0,0]=4 3813 B11R0.46 CC(=O)SCC(=O)CCCCF 1458a_100000049016_100000729493 [1,0,0,0,0,1|2,0,0]=4 3814 B11R0.46 CC(=O)SCC(=O)CCCCO 1458a_100000049016_100000210776 [1,0,0,0,0,1|2,0,0]=4 3815 B11R0.46 CC(=O)SCC(=O)NCCCF 11a_100015189416_100000049016 [1,0,0,0,0,1|2,0,0]=4 3816 B11R0.46 CC(=O)SCC(=O)NCCCF 1626a_100015189416_100000049016 [1,0,0,0,0,1|2,0,0]=4 3817 B11R0.46 CC(=O)SCC(=O)NCCCF 240690a_100015189416_100000049016 [1,0,0,0,0,1|2,0,0]=4 3818 B11R0.46 CC(=O)SCC(=O)NCCCO 240690a_100000182051_100000049016 [1,0,0,0,0,1|2,0,0]=4 3819 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [1,0,0,0,0,1|2,0,0]=4 3820 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [1,0,0,0,0,1|2,0,0]=4 3821 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [1,0,0,0,0,1|2,0,0]=4 3822 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [1,0,0,0,0,1|1,0,0]=3 3823 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [1,0,0,0,0,1|2,0,0]=4 3824 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [1,0,0,0,0,1|1,0,0]=3 3825 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [1,0,0,0,0,1|1,0,0]=3 3826 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [1,0,0,0,0,1|2,0,0]=4 3827 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [1,0,0,0,0,1|2,0,0]=4 3828 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [1,0,0,0,0,1|2,0,0]=4 3829 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [1,0,0,0,0,1|2,0,0]=4 3830 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [1,0,0,0,0,1|2,0,0]=4 3831 B11R0.46 CCCCNC(=O)CC=C(C)C 11a_100000102301_100011220947 [1,0,0,0,0,1|2,0,0]=4 3832 B11R0.46 CCCCNC(=O)CC=C(C)C 1626a_100000102301_100011220947 [1,0,0,0,0,1|2,0,0]=4 3833 B11R0.46 CCCCNC(=O)CC=C(C)C 240690a_100000102301_100011220947 [1,0,0,0,0,1|2,0,0]=4 3834 B11R0.46 CCCCNC(=O)CC=C(C)C 527a_100000102301_100011220947 [1,0,0,0,0,1|2,0,0]=4 3835 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [1,0,0,0,0,1|2,0,0]=4 3836 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [1,0,0,0,0,1|2,0,0]=4 3837 B11R0.46 CCCCNC(=O)CNC(=O)C 11a_100000102301_100000194580 [1,0,0,0,0,1|1,0,0]=3 3838 B11R0.46 CCCCNC(=O)CNC(=O)C 1626a_100000102301_100000194580 [1,0,0,0,0,1|1,0,0]=3 3839 B11R0.46 CCCCNC(=O)CNC(=O)C 240690a_100000102301_100000194580 [1,0,0,0,0,1|1,0,0]=3 3840 B11R0.46 CCCCNC(=O)CNC(=O)C 527a_100000102301_100000194580 [1,0,0,0,0,1|1,0,0]=3 3841 B11R0.46 CCCCNC(=O)CNC(=O)N 240690a_100000102301_100000184981 [1,0,0,0,0,1|2,0,0]=4 3842 B11R0.46 CCCCNC(=O)CNC(=O)N 527a_100000102301_100000184981 [1,0,0,0,0,1|2,0,0]=4 3843 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [1,0,0,0,0,1|1,0,0]=3 3844 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [1,0,0,0,0,1|1,0,0]=3 3845 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [1,0,0,0,0,1|1,0,0]=3 3846 B11R0.46 CCCCNC(=O)CSC(=O)C 11a_100000102301_100000049016 [1,0,0,0,0,1|1,0,0]=3 3847 B11R0.46 CCCCNC(=O)CSC(=O)C 1626a_100000102301_100000049016 [1,0,0,0,0,1|1,0,0]=3 3848 B11R0.46 CCCCNC(=O)CSC(=O)C 240690a_100000102301_100000049016 [1,0,0,0,0,1|1,0,0]=3 3849 B11R0.46 CCCCNC(=O)CSC(=O)N 240690a_100000102301_200015941356 [1,0,0,0,0,1|2,0,0]=4 3850 B11R0.46 CCCCNC(=O)NCC(=O)N 2708a_100000102301_100000711301 [1,0,0,0,0,1|2,0,0]=4 3851 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000102301_100000711301 [1,0,0,0,0,1|2,0,0]=4 3852 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000711301_100000102301 [1,0,0,0,0,1|2,0,0]=4 3853 B11R0.46 CCCCNC(=O)NCC(=O)N 512a_100000102301_100000711301 [1,0,0,0,0,1|2,0,0]=4 3854 B11R0.46 CCCCNC(=O)NNC(=O)C 273464a_100000102301_100000189765 [1,0,0,0,0,1|2,0,0]=4 3855 B11R0.46 CCCCNC(=O)NNC(=O)C 512a_100000189765_100000102301 [1,0,0,0,0,1|2,0,0]=4 3856 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [1,0,0,0,0,1|1,0,1]=4 3857 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [1,0,0,0,0,1|1,0,1]=4 3858 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [1,0,0,0,0,1|1,0,1]=4 3859 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [1,0,0,0,0,1|1,0,1]=4 3860 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [1,0,0,0,0,1|1,0,1]=4 3861 B11R0.46 CCCNNC(=O)CNC(=O)C 22a_100000740057_100000194580 [1,0,0,0,0,1|2,0,0]=4 3862 B11R0.46 CCCNNC(=O)COC(=O)C 22a_100000740057_100000183556 [1,0,0,0,0,1|2,0,0]=4 3863 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [1,0,0,0,0,1|2,0,0]=4 3864 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [1,0,0,0,0,1|2,0,0]=4 3865 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [1,0,0,0,0,1|2,0,0]=4 3866 B11R0.46 CCOCCC(=O)CNC(=O)C 1458a_100000194580_100011215890 [1,0,0,0,0,1|2,0,0]=4 3867 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [1,0,0,0,0,1|2,0,0]=4 3868 B11R0.46 CCOCCC(=O)CSC(=O)C 1458a_100000049016_100011215890 [1,0,0,0,0,1|2,0,0]=4 3869 B11R0.46 CCSCCC(=O)CNC(=O)C 1458a_100000194580_100000757381 [1,0,0,0,0,1|2,0,0]=4 3870 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [1,0,0,0,0,1|2,0,0]=4 3871 B11R0.46 CCSCCC(=O)CSC(=O)C 1458a_100000049016_100000757381 [1,0,0,0,0,1|2,0,0]=4 3872 B11R0.46 COCCCC(=O)CNC(=O)C 1458a_100000194580_100000740836 [1,0,0,0,0,1|2,0,0]=4 3873 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [1,0,0,0,0,1|2,0,0]=4 3874 B11R0.46 COCCCC(=O)CSC(=O)C 1458a_100000049016_100000740836 [1,0,0,0,0,1|2,0,0]=4 3875 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000209980_100000194580 [1,0,0,0,0,1|2,0,0]=4 3876 B11R0.46 COCCNC(=O)CNC(=O)C 1626a_100000754632_100015343762 [1,0,0,0,0,1|2,0,0]=4 3877 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000209980_100000194580 [1,0,0,0,0,1|2,0,0]=4 3878 B11R0.46 COCCNC(=O)CNC(=O)C 240690a_100000754632_100015343762 [1,0,0,0,0,1|2,0,0]=4 3879 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000209980_100000194580 [1,0,0,0,0,1|2,0,0]=4 3880 B11R0.46 COCCNC(=O)CNC(=O)C 527a_100000754632_100103153847 [1,0,0,0,0,1|2,0,0]=4 3881 B11R0.46 COCCNC(=O)COC(=O)C 1626a_100000209980_100000183556 [1,0,0,0,0,1|2,0,0]=4 3882 B11R0.46 COCCNC(=O)COC(=O)C 240690a_100000209980_100000183556 [1,0,0,0,0,1|2,0,0]=4 3883 B11R0.46 COCCNC(=O)COC(=O)C 527a_100000209980_100000183556 [1,0,0,0,0,1|2,0,0]=4 3884 B11R0.46 COCCNC(=O)CSC(=O)C 1626a_100000209980_100000049016 [1,0,0,0,0,1|2,0,0]=4 3885 B11R0.46 COCCNC(=O)CSC(=O)C 240690a_100000209980_100000049016 [1,0,0,0,0,1|2,0,0]=4 3886 B11R0.46 CSCCNC(=O)CNC(=O)C 11a_100020590264_100000194580 [1,0,0,0,0,1|2,0,0]=4 3887 B11R0.46 CSCCNC(=O)CNC(=O)C 1626a_100020590264_100000194580 [1,0,0,0,0,1|2,0,0]=4 3888 B11R0.46 CSCCNC(=O)CNC(=O)C 240690a_100020590264_100000194580 [1,0,0,0,0,1|2,0,0]=4 3889 B11R0.46 CSCCNC(=O)CNC(=O)C 527a_100020590264_100000194580 [1,0,0,0,0,1|2,0,0]=4 3890 B11R0.46 CSCCNC(=O)COC(=O)C 1626a_100020590264_100000183556 [1,0,0,0,0,1|2,0,0]=4 3891 B11R0.46 CSCCNC(=O)COC(=O)C 240690a_100020590264_100000183556 [1,0,0,0,0,1|2,0,0]=4 3892 B11R0.46 CSCCNC(=O)COC(=O)C 527a_100020590264_100000183556 [1,0,0,0,0,1|2,0,0]=4 3893 B11R0.46 CSCCNC(=O)CSC(=O)C 11a_100020590264_100000049016 [1,0,0,0,0,1|2,0,0]=4 3894 B11R0.46 CSCCNC(=O)CSC(=O)C 1626a_100020590264_100000049016 [1,0,0,0,0,1|2,0,0]=4 3895 B11R0.46 CSCCNC(=O)CSC(=O)C 240690a_100020590264_100000049016 [1,0,0,0,0,1|2,0,0]=4 3896 B11R0.46 [13CH3]C(=O)CCC(=O)OCCC#N 1458a_200009922858_200025704644 [1,0,0,0,0,1|1,0,1]=4 3897 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000210774_100000730704 [1,0,0,0,0,1|1,0,1]=4 3898 B11R0.30 C=C(C)CCOCCCC(C)C 34a_100000764851_100011214892 [1,0,0,0,0,1|1,0,1]=4 3899 B11R0.30 C=C(C)CCOCCCC(C)C 7a_100000210774_100000730704 [1,0,0,0,0,1|1,0,1]=4 3900 B11R0.30 C=C(C)CCOCCNC(C)C 34a_100000224655_100000730704 [1,0,0,0,0,1|1,0,1]=4 3901 B11R0.30 C=C(C)CCOCCOC(C)C 34a_100000211219_100000730704 [1,0,0,0,0,1|1,0,1]=4 3902 B11R0.30 C=C(C)CCOCCOC(C)C 34a_100000764851_100000211751 [1,0,0,0,0,1|1,0,1]=4 3903 B11R0.30 C=C(C)CCOCCOC(C)C 7a_100000211219_100000730704 [1,0,0,0,0,1|1,0,1]=4 3904 B11R0.30 C=C(C)CCOCCSC(C)C 34a_100000764851_100000730970 [1,0,0,0,0,1|1,0,1]=4 3905 B11R0.30 C=C(C)CCOCCSC(C)C 34a_200011212901_100000730704 [1,0,0,0,0,1|1,0,1]=4 3906 B11R0.30 C=C(C)CCOCCSC(C)C 7a_200011212901_100000730704 [1,0,0,0,0,1|1,0,1]=4 3907 B11R0.30 CC(=CCCOCCC(C)C)C 34a_100000210254_100011217483 [1,0,0,0,0,1|1,0,1]=4 3908 B11R0.30 CC(=CCCOCCC(C)C)C 7a_100000210254_100011217483 [1,0,0,0,0,1|1,0,1]=4 3909 B11R0.30 CC(=O)CCCCCCC(C)C 1458a_100000040743_200000210301 [1,0,0,0,0,1|1,0,1]=4 3910 B11R0.30 CC(=O)CCCCNCC(C)C 34a_100000210953_100009817362 [1,0,0,0,0,1|1,0,1]=4 3911 B11R0.30 CC(=O)CCCCOCC(C)C 34a_100000210257_100009817362 [1,0,0,0,0,1|1,0,1]=4 3912 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000210624_100000735457 [1,0,0,0,0,1|1,0,1]=4 3913 B11R0.30 CC(=O)CCCCSCC(C)C 62a_100000735457_100000210760 [1,0,0,0,0,1|1,0,1]=4 3914 B11R0.30 CC(=O)CCCOCCC(C)Br 34a_100009893172_100000685027 [1,0,0,0,0,1|1,0,1]=4 3915 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000210254_100000685027 [1,0,0,0,0,1|0,0,1]=3 3916 B11R0.30 CC(=O)CCCOCCC(C)C 34a_100000759063_100000210312 [1,0,0,0,0,1|0,0,1]=3 3917 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000210254_100011215641 [1,0,0,0,0,1|0,0,1]=3 3918 B11R0.30 CC(=O)CCCOCCC(C)C 7a_100000759063_100000210626 [1,0,0,0,0,1|0,0,1]=3 3919 B11R0.30 CC(=O)CCCOCCC(C)O 34a_100000759063_100012276601 [1,0,0,0,0,1|1,0,1]=4 3920 B11R0.30 CC(=O)CCCOCCC(C)O 7a_100000759063_100012276601 [1,0,0,0,0,1|1,0,1]=4 3921 B11R0.30 CC(=O)CCCOCCN(C)C 7a_100000759063_100000755713 [1,0,0,0,0,1|1,0,1]=4 3922 B11R0.30 CC(=O)CCCOCC[C@@H](C)N 34a_100000706166_100000685027 [1,0,0,0,0,1|1,0,1]=4 3923 B11R0.30 CC(=O)CCCOCOC(C)C 34a_100000759063_100000709892 [1,0,0,0,0,1|1,0,1]=4 3924 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100000210312_100011215641 [1,0,0,0,0,1|0,1,1]=4 3925 B11R0.30 CC(=O)CCCSCCC(C)C 62a_100011215641_100000210312 [1,0,0,0,0,1|0,1,1]=4 3926 B11R0.30 CC(=O)CCOCCC=C(C)C 34a_100000759926_100011217483 [1,0,0,0,0,1|0,0,2]=4 3927 B11R0.30 CC(=O)CCOCCC=C(C)C 7a_100000759926_100011217483 [1,0,0,0,0,1|0,0,2]=4 3928 B11R0.30 CC(=O)CCOCCCC(C)C 34a_100000759926_100011214892 [1,0,0,0,0,1|0,0,1]=3 3929 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000210774_100000053229 [1,0,0,0,0,1|0,0,1]=3 3930 B11R0.30 CC(=O)CCOCCCC(C)C 7a_100000759926_100011214892 [1,0,0,0,0,1|0,0,1]=3 3931 B11R0.30 CC(=O)CCOCCCC(C)O 34a_100000759926_200000718107 [1,0,0,0,0,1|1,0,1]=4 3932 B11R0.30 CC(=O)CCOCCCC(C)O 7a_100000759926_200000718107 [1,0,0,0,0,1|1,0,1]=4 3933 B11R0.30 CC(=O)CCOCCCN(C)C 7a_100000759926_100000757444 [1,0,0,0,0,1|1,0,1]=4 3934 B11R0.30 CC(=O)CCOCCOC(C)C 34a_100000759926_100000211751 [1,0,0,0,0,1|0,0,1]=3 3935 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000211219_100000053229 [1,0,0,0,0,1|0,0,1]=3 3936 B11R0.30 CC(=O)CCOCCOC(C)C 7a_100000759926_100000211751 [1,0,0,0,0,1|0,0,1]=3 3937 B11R0.30 CC(=O)CCOCCSC(C)C 34a_100000759926_100000730970 [1,0,0,0,0,1|0,0,1]=3 3938 B11R0.30 CC(=O)CCOCCSC(C)C 7a_100000759926_100000730970 [1,0,0,0,0,1|0,0,1]=3 3939 B11R0.30 CC(=O)CCOCCSC(C)C 7a_200011212901_100000053229 [1,0,0,0,0,1|0,0,1]=3 3940 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100000053229_100011214892 [1,0,0,0,0,1|0,1,1]=4 3941 B11R0.30 CC(=O)CCSCCCC(C)C 62a_100011214892_100000053229 [1,0,0,0,0,1|0,1,1]=4 3942 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000053229_100000211751 [1,0,0,0,0,1|0,1,1]=4 3943 B11R0.30 CC(=O)CCSCCOC(C)C 62a_100000211751_100000053229 [1,0,0,0,0,1|0,1,1]=4 3944 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000053229_100000730970 [1,0,0,0,0,1|0,1,1]=4 3945 B11R0.30 CC(=O)CCSCCSC(C)C 62a_100000730970_100000053229 [1,0,0,0,0,1|0,1,1]=4 3946 B11R0.30 CC(=O)COCCCCC(C)C 34a_100000211253_100011216152 [1,0,0,0,0,1|1,0,1]=4 3947 B11R0.30 CC(=O)NCCCCCC(C)C 1626a_100011290863_100015343762 [1,0,0,0,0,1|1,0,1]=4 3948 B11R0.30 CC(=O)NCCCCCC(C)C 240690a_100011290863_100015343762 [1,0,0,0,0,1|1,0,1]=4 3949 B11R0.30 CC(=O)NCCCCCC(C)C 527a_100011290863_100103153847 [1,0,0,0,0,1|1,0,1]=4 3950 B11R0.30 CC(=O)NCCNCCC(C)C 2230a_100000209853_100000210312 [1,0,0,0,0,1|1,0,1]=4 3951 B11R0.30 CC(=O)NCCNCCC(C)C 269862a_100000209853_100000185833 [1,0,0,0,0,1|1,0,1]=4 3952 B11R0.30 CC(=O)NCCOCCC(C)C 34a_100000158858_100000210312 [1,0,0,0,0,1|0,0,1]=3 3953 B11R0.30 CC(=O)NCCOCCC(C)C 7a_100000210254_100000189650 [1,0,0,0,0,1|0,0,1]=3 3954 B11R0.30 CC(=O)NCCOCCC(C)O 34a_100000158858_100012276601 [1,0,0,0,0,1|1,0,1]=4 3955 B11R0.30 CC(=O)NCCOCCN(C)C 240690a_200153394208_100015343762 [1,0,0,0,0,1|1,0,1]=4 3956 B11R0.30 CC(=O)NCCOCCN(C)C 527a_200153394208_100103153847 [1,0,0,0,0,1|1,0,1]=4 3957 B11R0.30 CC(=O)NCCOCOC(C)C 34a_100000158858_100000709892 [1,0,0,0,0,1|1,0,1]=4 3958 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000189650_100000210312 [1,0,0,0,0,1|0,1,1]=4 3959 B11R0.30 CC(=O)NCCSCCC(C)C 62a_100000210312_100000189650 [1,0,0,0,0,1|0,1,1]=4 3960 B11R0.30 CC(=O)OCCOCCC(C)Br 34a_100009893172_100009814007 [1,0,0,0,0,1|1,0,1]=4 3961 B11R0.30 CC(=O)OCCOCCC(C)C 34a_100000210254_100009814007 [1,0,0,0,0,1|0,0,1]=3 3962 B11R0.30 CC(=O)OCCOCCC(C)C 7a_100000210254_100009814007 [1,0,0,0,0,1|0,0,1]=3 3963 B11R0.30 CC(=O)OCCOCCN(C)C 2230a_100102631434_200000083610 [1,0,0,0,0,1|1,0,1]=4 3964 B11R0.30 CC(=O)OCCOCCN(C)C 269982a_100102631434_200000083610 [1,0,0,0,0,1|1,0,1]=4 3965 B11R0.30 CC(=O)OCCOCC[C@@H](C)N 34a_100000706166_100009814007 [1,0,0,0,0,1|1,0,1]=4 3966 B11R0.30 CC(=O)OCCOCNC(C)C 34a_100138425928_100000076355 [1,0,0,0,0,1|1,0,1]=4 3967 B11R0.30 CC(=O)OCCOCOC(C)C 34a_100000212225_100000076355 [1,0,0,0,0,1|1,0,1]=4 3968 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000076355_100000210206 [1,0,0,0,0,1|1,0,1]=4 3969 B11R0.30 CC(=O)OCCOCSC(C)C 62a_100000210206_100000076355 [1,0,0,0,0,1|1,0,1]=4 3970 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100000210312_100009814007 [1,0,0,0,0,1|0,1,1]=4 3971 B11R0.30 CC(=O)OCCSCCC(C)C 62a_100009814007_100000210312 [1,0,0,0,0,1|0,1,1]=4 3972 B11R0.30 CC(=O)OCNCCCC(C)C 34a_200000737386_100009813279 [1,0,0,0,0,1|2,0,0]=4 3973 B11R0.30 CC(=O)OCOCCCC(C)C 34a_100000210774_100009813279 [1,0,0,0,0,1|1,0,1]=4 3974 B11R0.30 CC(=O)OCOCCNC(C)C 34a_100000224655_100009813279 [1,0,0,0,0,1|1,0,1]=4 3975 B11R0.30 CC(=O)OCOCCOC(C)C 34a_100000211219_100009813279 [1,0,0,0,0,1|1,0,1]=4 3976 B11R0.30 CC(=O)OCOCCSC(C)C 34a_200011212901_100009813279 [1,0,0,0,0,1|1,0,1]=4 3977 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100000076356_100011214892 [1,0,0,0,0,1|2,0,0]=4 3978 B11R0.30 CC(=O)OCSCCCC(C)C 62a_100011214892_100000076356 [1,0,0,0,0,1|2,0,0]=4 3979 B11R0.30 CC(=O)SCCNCCC(C)C 269862a_100020647217_100000185833 [1,0,0,0,0,1|1,0,1]=4 3980 B11R0.30 CC(C)CCCCCCC(=O)[13CH3] 1458a_100000040743_200025704644 [1,0,0,0,0,1|1,0,1]=4 3981 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000210774_100000731001 [1,0,0,0,0,1|1,0,1]=4 3982 B11R0.30 CC(C)CCCOCCC(=O)N 34a_100000757172_100011214892 [1,0,0,0,0,1|1,0,1]=4 3983 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000210774_100000744528 [1,0,0,0,0,1|1,0,1]=4 3984 B11R0.30 CC(C)CCCOCCC(=O)N 7a_100000757172_100011214892 [1,0,0,0,0,1|1,0,1]=4 3985 B11R0.30 CC(C)CCOCCCC(=O)N 34a_100000210254_100102525003 [1,0,0,0,0,1|1,0,1]=4 3986 B11R0.30 CC(C)CCOCCCC(=O)N 7a_100000210254_100102525003 [1,0,0,0,0,1|1,0,1]=4 3987 B11R0.30 CC(C)CCOCCNC(=O)N 34a_100000181757_100000210312 [1,0,0,0,0,1|1,0,1]=4 3988 B11R0.30 CC(C)CCOCCNC(=O)N 7a_100000210254_200000034859 [1,0,0,0,0,1|1,0,1]=4 3989 B11R0.30 CC(C)CCOCCOC(=O)N 34a_100000210254_200011214921 [1,0,0,0,0,1|1,0,1]=4 3990 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000210254_200011214921 [1,0,0,0,0,1|1,0,1]=4 3991 B11R0.30 CC(C)CCOCCOC(=O)N 7a_100000766696_100000210626 [1,0,0,0,0,1|1,0,1]=4 3992 B11R0.30 CC(C)NCCOCCC(=O)N 34a_100000224655_100000731001 [1,0,0,0,0,1|1,0,1]=4 3993 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000211219_100000731001 [1,0,0,0,0,1|1,0,1]=4 3994 B11R0.30 CC(C)OCCOCCC(=O)N 34a_100000757172_100000211751 [1,0,0,0,0,1|1,0,1]=4 3995 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000211219_100000744528 [1,0,0,0,0,1|1,0,1]=4 3996 B11R0.30 CC(C)OCCOCCC(=O)N 7a_100000757172_100000211751 [1,0,0,0,0,1|1,0,1]=4 3997 B11R0.30 CC(C)SCCOCCC(=O)N 34a_100000757172_100000730970 [1,0,0,0,0,1|1,0,1]=4 3998 B11R0.30 CC(C)SCCOCCC(=O)N 34a_200011212901_100000731001 [1,0,0,0,0,1|1,0,1]=4 3999 B11R0.30 CC(C)SCCOCCC(=O)N 7a_100000757172_100000730970 [1,0,0,0,0,1|1,0,1]=4 4000 B11R0.30 CC(C)SCCOCCC(=O)N 7a_200011212901_100000744528 [1,0,0,0,0,1|1,0,1]=4 4001 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_100011933920_100000730704 [0,0,0,0,0,2|2,0,0]=4 4002 B13R0.182 C=C(C)CCC(=O)CCCCC(C)C 1458a_200000688413_100011216152 [0,0,0,0,0,2|2,0,0]=4 4003 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 11a_200000737386_200000688413 [0,0,0,0,0,2|2,0,0]=4 4004 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 1626a_200000737386_200000688413 [0,0,0,0,0,2|2,0,0]=4 4005 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 240690a_200000737386_200000688413 [0,0,0,0,0,2|2,0,0]=4 4006 B13R0.182 C=C(C)CCC(=O)NCCCC(C)C 527a_200000737386_200000688413 [0,0,0,0,0,2|2,0,0]=4 4007 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 11a_100000701111_200000688413 [0,0,0,0,0,2|2,0,0]=4 4008 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 1626a_100000701111_200000688413 [0,0,0,0,0,2|2,0,0]=4 4009 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 240690a_100000701111_200000688413 [0,0,0,0,0,2|2,0,0]=4 4010 B13R0.182 C=C(C)CCC(=O)NCCOC(C)C 527a_100000701111_200000688413 [0,0,0,0,0,2|2,0,0]=4 4011 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 11a_100000731138_200000688413 [0,0,0,0,0,2|2,0,0]=4 4012 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 1626a_100000731138_200000688413 [0,0,0,0,0,2|2,0,0]=4 4013 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 240690a_100000731138_200000688413 [0,0,0,0,0,2|2,0,0]=4 4014 B13R0.182 C=C(C)CCC(=O)NCCSC(C)C 527a_100000731138_200000688413 [0,0,0,0,0,2|2,0,0]=4 4015 B13R0.182 C=C(C)CCOCC(=O)COC(=O)C 34a_100000764851_100000036994 [0,0,0,0,0,2|0,0,2]=4 4016 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 11a_100000765925_100011933920 [0,0,0,0,0,2|2,0,0]=4 4017 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 1626a_100000765925_100011933920 [0,0,0,0,0,2|2,0,0]=4 4018 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 240690a_100000765925_100011933920 [0,0,0,0,0,2|2,0,0]=4 4019 B13R0.182 C=C(C)CNC(=O)CCCCC(C)C 527a_100000765925_100011933920 [0,0,0,0,0,2|2,0,0]=4 4020 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 2708a_100000765925_200000737386 [0,0,0,0,0,2|2,0,0]=4 4021 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 2708a_200000737386_100000765925 [0,0,0,0,0,2|2,0,0]=4 4022 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 273464a_100000765925_200000737386 [0,0,0,0,0,2|2,0,0]=4 4023 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 273464a_200000737386_100000765925 [0,0,0,0,0,2|2,0,0]=4 4024 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 512a_100000765925_200000737386 [0,0,0,0,0,2|2,0,0]=4 4025 B13R0.182 C=C(C)CNC(=O)NCCCC(C)C 512a_200000737386_100000765925 [0,0,0,0,0,2|2,0,0]=4 4026 B13R0.182 C=C(C)CNC(=O)NCCOC(C)C 2708a_100000701111_100000765925 [0,0,0,0,0,2|2,0,0]=4 4027 B13R0.182 C=C(C)CNC(=O)NCCOC(C)C 2708a_100000765925_100000701111 [0,0,0,0,0,2|2,0,0]=4 4028 B13R0.182 C=C(C)CNC(=O)NCCOC(C)C 273464a_100000701111_100000765925 [0,0,0,0,0,2|2,0,0]=4 4029 B13R0.182 C=C(C)CNC(=O)NCCOC(C)C 273464a_100000765925_100000701111 [0,0,0,0,0,2|2,0,0]=4 4030 B13R0.182 C=C(C)CNC(=O)NCCOC(C)C 512a_100000701111_100000765925 [0,0,0,0,0,2|2,0,0]=4 4031 B13R0.182 C=C(C)CNC(=O)NCCOC(C)C 512a_100000765925_100000701111 [0,0,0,0,0,2|2,0,0]=4 4032 B13R0.182 C=C(C)CNC(=O)NCCSC(C)C 2708a_100000731138_100000765925 [0,0,0,0,0,2|2,0,0]=4 4033 B13R0.182 C=C(C)CNC(=O)NCCSC(C)C 2708a_100000765925_100000731138 [0,0,0,0,0,2|2,0,0]=4 4034 B13R0.182 C=C(C)CNC(=O)NCCSC(C)C 273464a_100000731138_100000765925 [0,0,0,0,0,2|2,0,0]=4 4035 B13R0.182 C=C(C)CNC(=O)NCCSC(C)C 273464a_100000765925_100000731138 [0,0,0,0,0,2|2,0,0]=4 4036 B13R0.182 C=C(C)CNC(=O)NCCSC(C)C 512a_100000731138_100000765925 [0,0,0,0,0,2|2,0,0]=4 4037 B13R0.182 C=C(C)CNC(=O)NCCSC(C)C 512a_100000765925_100000731138 [0,0,0,0,0,2|2,0,0]=4 4038 B13R0.182 CC(=CCC(=O)CCCCC(C)C)C 1458a_100011220947_100011216152 [0,0,0,0,0,2|2,0,0]=4 4039 B13R0.182 CC(=CCC(=O)CCCCC(C)C)C 1458a_100011933920_100000761012 [0,0,0,0,0,2|2,0,0]=4 4040 B13R0.182 CC(=CCC(=O)NCCCC(C)C)C 11a_200000737386_100011220947 [0,0,0,0,0,2|2,0,0]=4 4041 B13R0.182 CC(=CCC(=O)NCCCC(C)C)C 1626a_200000737386_100011220947 [0,0,0,0,0,2|2,0,0]=4 4042 B13R0.182 CC(=CCC(=O)NCCCC(C)C)C 240690a_200000737386_100011220947 [0,0,0,0,0,2|2,0,0]=4 4043 B13R0.182 CC(=CCC(=O)NCCCC(C)C)C 527a_200000737386_100011220947 [0,0,0,0,0,2|2,0,0]=4 4044 B13R0.182 CC(=CCC(=O)NCCOC(C)C)C 11a_100000701111_100011220947 [0,0,0,0,0,2|2,0,0]=4 4045 B13R0.182 CC(=CCC(=O)NCCOC(C)C)C 1626a_100000701111_100011220947 [0,0,0,0,0,2|2,0,0]=4 4046 B13R0.182 CC(=CCC(=O)NCCOC(C)C)C 240690a_100000701111_100011220947 [0,0,0,0,0,2|2,0,0]=4 4047 B13R0.182 CC(=CCC(=O)NCCOC(C)C)C 527a_100000701111_100011220947 [0,0,0,0,0,2|2,0,0]=4 4048 B13R0.182 CC(=CCC(=O)NCCSC(C)C)C 11a_100000731138_100011220947 [0,0,0,0,0,2|2,0,0]=4 4049 B13R0.182 CC(=CCC(=O)NCCSC(C)C)C 1626a_100000731138_100011220947 [0,0,0,0,0,2|2,0,0]=4 4050 B13R0.182 CC(=CCC(=O)NCCSC(C)C)C 240690a_100000731138_100011220947 [0,0,0,0,0,2|2,0,0]=4 4051 B13R0.182 CC(=CCC(=O)NCCSC(C)C)C 527a_100000731138_100011220947 [0,0,0,0,0,2|2,0,0]=4 4052 B13R0.182 CC(=O)CCOCC(=O)COC(=O)C 34a_100000759926_100000036994 [0,0,0,0,0,2|1,0,1]=4 4053 B13R0.182 CC(=O)NCC(=O)CCCCC(C)C 1458a_100000194580_100011216152 [0,0,0,0,0,2|1,0,0]=3 4054 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 11a_200000737386_100000194580 [0,0,0,0,0,2|1,0,0]=3 4055 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 1626a_200000737386_100000194580 [0,0,0,0,0,2|1,0,0]=3 4056 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 240690a_200000737386_100000194580 [0,0,0,0,0,2|1,0,0]=3 4057 B13R0.182 CC(=O)NCC(=O)NCCCC(C)C 527a_200000737386_100000194580 [0,0,0,0,0,2|1,0,0]=3 4058 B13R0.182 CC(=O)NCC(=O)NCCCN(C)C 240690a_102531767803_100000194580 [0,0,0,0,0,2|2,0,0]=4 4059 B13R0.182 CC(=O)NCC(=O)NCCCN(C)C 527a_102531767803_100000194580 [0,0,0,0,0,2|2,0,0]=4 4060 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 11a_100000701111_100000194580 [0,0,0,0,0,2|1,0,0]=3 4061 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 1626a_100000701111_100000194580 [0,0,0,0,0,2|1,0,0]=3 4062 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 240690a_100000701111_100000194580 [0,0,0,0,0,2|1,0,0]=3 4063 B13R0.182 CC(=O)NCC(=O)NCCOC(C)C 527a_100000701111_100000194580 [0,0,0,0,0,2|1,0,0]=3 4064 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 11a_100000731138_100000194580 [0,0,0,0,0,2|1,0,0]=3 4065 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 1626a_100000731138_100000194580 [0,0,0,0,0,2|1,0,0]=3 4066 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 240690a_100000731138_100000194580 [0,0,0,0,0,2|1,0,0]=3 4067 B13R0.182 CC(=O)NCC(=O)NCCSC(C)C 527a_100000731138_100000194580 [0,0,0,0,0,2|1,0,0]=3 4068 B13R0.182 CC(=O)NCC(=O)NNCCN(C)C 22a_100000738145_100000194580 [0,0,0,0,0,2|2,0,0]=4 4069 B13R0.182 CC(=O)NNC(=O)CCCCC(C)C 22a_100000189765_100011933920 [0,0,0,0,0,2|2,0,0]=4 4070 B13R0.182 CC(=O)NNC(=O)COCCC(C)C 7a_100000210254_100000181415 [0,0,0,0,0,2|1,0,0]=3 4071 B13R0.182 CC(=O)NNC(=O)CSCCC(C)C 62a_100000181415_100000210312 [0,0,0,0,0,2|1,1,0]=4 4072 B13R0.182 CC(=O)NNC(=O)CSCCC(C)C 62a_100000210312_100000181415 [0,0,0,0,0,2|1,1,0]=4 4073 B13R0.182 CC(=O)NNC(=O)NCCCC(C)C 273464a_200000737386_100000189765 [0,0,0,0,0,2|2,0,0]=4 4074 B13R0.182 CC(=O)NNC(=O)NCCCC(C)C 512a_100000189765_200000737386 [0,0,0,0,0,2|2,0,0]=4 4075 B13R0.182 CC(=O)NNC(=O)NCCOC(C)C 273464a_100000701111_100000189765 [0,0,0,0,0,2|2,0,0]=4 4076 B13R0.182 CC(=O)NNC(=O)NCCOC(C)C 512a_100000189765_100000701111 [0,0,0,0,0,2|2,0,0]=4 4077 B13R0.182 CC(=O)NNC(=O)NCCSC(C)C 273464a_100000731138_100000189765 [0,0,0,0,0,2|2,0,0]=4 4078 B13R0.182 CC(=O)NNC(=O)NCCSC(C)C 512a_100000189765_100000731138 [0,0,0,0,0,2|2,0,0]=4 4079 B13R0.182 CC(=O)OCC(=O)CCCCC(C)C 1458a_100000183556_100011216152 [0,0,0,0,0,2|1,0,0]=3 4080 B13R0.182 CC(=O)OCC(=O)COCC=C(C)C 34a_100000753907_100000036994 [0,0,0,0,0,2|0,0,2]=4 4081 B13R0.182 CC(=O)OCC(=O)COCCC(C)Br 34a_100009893172_100000036994 [0,0,0,0,0,2|1,0,0]=3 4082 B13R0.182 CC(=O)OCC(=O)COCCC(C)C 34a_100000210254_100000036994 [0,0,0,0,0,2|0,0,0]=2 4083 B13R0.182 CC(=O)OCC(=O)COCCC(F)F 34a_100103093639_100000036994 [0,0,0,0,0,2|2,0,0]=4 4084 B13R0.182 CC(=O)OCC(=O)COCC[C@@H](C)N 34a_100000706166_100000036994 [0,0,0,0,0,2|1,0,0]=3 4085 B13R0.182 CC(=O)OCC(=O)CSCCC(C)C 62a_100000036994_100000210312 [0,0,0,0,0,2|0,1,0]=3 4086 B13R0.182 CC(=O)OCC(=O)CSCCC(C)C 62a_100000210312_100000036994 [0,0,0,0,0,2|0,1,0]=3 4087 B13R0.182 CC(=O)OCC(=O)CSCCC(C)O 62a_100000036994_100012276601 [0,0,0,0,0,2|1,1,0]=4 4088 B13R0.182 CC(=O)OCC(=O)CSCCC(C)O 62a_100012276601_100000036994 [0,0,0,0,0,2|1,1,0]=4 4089 B13R0.182 CC(=O)OCC(=O)CSCCN(C)C 62a_100000036994_100000755713 [0,0,0,0,0,2|1,1,0]=4 4090 B13R0.182 CC(=O)OCC(=O)CSCOC(C)C 62a_100000036994_100000709892 [0,0,0,0,0,2|1,1,0]=4 4091 B13R0.182 CC(=O)OCC(=O)CSCOC(C)C 62a_100000709892_100000036994 [0,0,0,0,0,2|1,1,0]=4 4092 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 1626a_200000737386_100000183556 [0,0,0,0,0,2|1,0,0]=3 4093 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 240690a_200000737386_100000183556 [0,0,0,0,0,2|1,0,0]=3 4094 B13R0.182 CC(=O)OCC(=O)NCCCC(C)C 527a_200000737386_100000183556 [0,0,0,0,0,2|1,0,0]=3 4095 B13R0.182 CC(=O)OCC(=O)NCCCN(C)C 240690a_102531767803_100000183556 [0,0,0,0,0,2|2,0,0]=4 4096 B13R0.182 CC(=O)OCC(=O)NCCCN(C)C 527a_102531767803_100000183556 [0,0,0,0,0,2|2,0,0]=4 4097 B13R0.182 CC(=O)OCC(=O)NCCOC(C)C 1626a_100000701111_100000183556 [0,0,0,0,0,2|1,0,0]=3 4098 B13R0.182 CC(=O)OCC(=O)NCCOC(C)C 240690a_100000701111_100000183556 [0,0,0,0,0,2|1,0,0]=3 4099 B13R0.182 CC(=O)OCC(=O)NCCOC(C)C 527a_100000701111_100000183556 [0,0,0,0,0,2|1,0,0]=3 4100 B13R0.182 CC(=O)OCC(=O)NCCSC(C)C 1626a_100000731138_100000183556 [0,0,0,0,0,2|1,0,0]=3 4101 B13R0.182 CC(=O)OCC(=O)NCCSC(C)C 240690a_100000731138_100000183556 [0,0,0,0,0,2|1,0,0]=3 4102 B13R0.182 CC(=O)OCC(=O)NCCSC(C)C 527a_100000731138_100000183556 [0,0,0,0,0,2|1,0,0]=3 4103 B13R0.182 CC(=O)OCC(=O)NNCCN(C)C 22a_100000738145_100000183556 [0,0,0,0,0,2|2,0,0]=4 4104 B13R0.182 CC(=O)OCC(O)COCCC(C)C 34a_100000210254_200000139349 [0,0,0,0,0,2|0,0,2]=4 4105 B13R0.182 CC(=O)OCC(O)COCCC(C)C 7a_100000210254_200000139349 [0,0,0,0,0,2|0,0,2]=4 4106 B13R0.182 CC(=O)SCC(=O)CCCCC(C)C 1458a_100000049016_100011216152 [0,0,0,0,0,2|1,0,0]=3 4107 B13R0.182 CC(=O)SCC(=O)NCCCC(C)C 11a_200000737386_100000049016 [0,0,0,0,0,2|1,0,0]=3 4108 B13R0.182 CC(=O)SCC(=O)NCCCC(C)C 1626a_200000737386_100000049016 [0,0,0,0,0,2|1,0,0]=3 4109 B13R0.182 CC(=O)SCC(=O)NCCCC(C)C 240690a_200000737386_100000049016 [0,0,0,0,0,2|1,0,0]=3 4110 B13R0.182 CC(=O)SCC(=O)NCCCN(C)C 240690a_102531767803_100000049016 [0,0,0,0,0,2|2,0,0]=4 4111 B13R0.182 CC(=O)SCC(=O)NCCOC(C)C 11a_100000701111_100000049016 [0,0,0,0,0,2|1,0,0]=3 4112 B13R0.182 CC(=O)SCC(=O)NCCOC(C)C 1626a_100000701111_100000049016 [0,0,0,0,0,2|1,0,0]=3 4113 B13R0.182 CC(=O)SCC(=O)NCCOC(C)C 240690a_100000701111_100000049016 [0,0,0,0,0,2|1,0,0]=3 4114 B13R0.182 CC(=O)SCC(=O)NCCSC(C)C 11a_100000731138_100000049016 [0,0,0,0,0,2|1,0,0]=3 4115 B13R0.182 CC(=O)SCC(=O)NCCSC(C)C 1626a_100000731138_100000049016 [0,0,0,0,0,2|1,0,0]=3 4116 B13R0.182 CC(=O)SCC(=O)NCCSC(C)C 240690a_100000731138_100000049016 [0,0,0,0,0,2|1,0,0]=3 4117 B13R0.182 CC(=O)SCC(C)COCCC(C)C 34a_100000210254_200000116872 [0,0,0,0,0,2|1,0,1]=4 4118 B13R0.182 CC(=O)SCC(C)COCCC(C)C 7a_100000210254_200000116872 [0,0,0,0,0,2|1,0,1]=4 4119 B13R0.182 CC(C)CCCCC(=O)CCC(=O)N 1458a_100011215257_100011216152 [0,0,0,0,0,2|2,0,0]=4 4120 B13R0.182 CC(C)CCCCC(=O)CNC(=O)N 1458a_100000184981_100011216152 [0,0,0,0,0,2|2,0,0]=4 4121 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 11a_100000711301_100011933920 [0,0,0,0,0,2|2,0,0]=4 4122 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 240690a_100000711301_100011933920 [0,0,0,0,0,2|2,0,0]=4 4123 B13R0.182 CC(C)CCCCC(=O)NCC(=O)N 527a_100000711301_100011933920 [0,0,0,0,0,2|2,0,0]=4 4124 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 240690a_200000737386_100011215257 [0,0,0,0,0,2|2,0,0]=4 4125 B13R0.182 CC(C)CCCNC(=O)CCC(=O)N 527a_200000737386_100011215257 [0,0,0,0,0,2|2,0,0]=4 4126 B13R0.182 CC(C)CCCNC(=O)CNC(=O)N 240690a_200000737386_100000184981 [0,0,0,0,0,2|2,0,0]=4 4127 B13R0.182 CC(C)CCCNC(=O)CNC(=O)N 527a_200000737386_100000184981 [0,0,0,0,0,2|2,0,0]=4 4128 B13R0.182 CC(C)CCCNC(=O)CSC(=O)N 240690a_200000737386_200015941356 [0,0,0,0,0,2|2,0,0]=4 4129 B13R0.182 CC(C)CCCNC(=O)NCC(=O)N 2708a_200000737386_100000711301 [0,0,0,0,0,2|2,0,0]=4 4130 B13R0.182 CC(C)CCCNC(=O)NCC(=O)N 273464a_100000711301_200000737386 [0,0,0,0,0,2|2,0,0]=4 4131 B13R0.182 CC(C)CCCNC(=O)NCC(=O)N 273464a_200000737386_100000711301 [0,0,0,0,0,2|2,0,0]=4 4132 B13R0.182 CC(C)CCCNC(=O)NCC(=O)N 512a_200000737386_100000711301 [0,0,0,0,0,2|2,0,0]=4 4133 B13R0.182 CC(C)CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210312 [0,0,0,0,0,2|2,0,0]=4 4134 B13R0.182 CC(C)CCOCC(=O)NCC(C)C 34a_100000210254_100000183291 [0,0,0,0,0,2|1,0,1]=4 4135 B13R0.182 CC(C)CCOCC(=O)NCC(C)C 7a_100000210254_100000183291 [0,0,0,0,0,2|1,0,1]=4 4136 B13R0.182 CC(C)CNCCC(=O)NCC(=O)O 269956a_100000722369_100000210760 [0,0,0,0,0,2|2,0,0]=4 4137 B13R0.182 CC(C)OCCNC(=O)CCC(=O)N 240690a_100000701111_100011215257 [0,0,0,0,0,2|2,0,0]=4 4138 B13R0.182 CC(C)OCCNC(=O)CCC(=O)N 527a_100000701111_100011215257 [0,0,0,0,0,2|2,0,0]=4 4139 B13R0.182 CC(C)OCCNC(=O)CNC(=O)N 240690a_100000701111_100000184981 [0,0,0,0,0,2|2,0,0]=4 4140 B13R0.182 CC(C)OCCNC(=O)CNC(=O)N 527a_100000701111_100000184981 [0,0,0,0,0,2|2,0,0]=4 4141 B13R0.182 CC(C)OCCNC(=O)CSC(=O)N 240690a_100000701111_200015941356 [0,0,0,0,0,2|2,0,0]=4 4142 B13R0.182 CC(C)OCCNC(=O)NCC(=O)N 2708a_100000701111_100000711301 [0,0,0,0,0,2|2,0,0]=4 4143 B13R0.182 CC(C)OCCNC(=O)NCC(=O)N 273464a_100000701111_100000711301 [0,0,0,0,0,2|2,0,0]=4 4144 B13R0.182 CC(C)OCCNC(=O)NCC(=O)N 273464a_100000711301_100000701111 [0,0,0,0,0,2|2,0,0]=4 4145 B13R0.182 CC(C)OCCNC(=O)NCC(=O)N 512a_100000701111_100000711301 [0,0,0,0,0,2|2,0,0]=4 4146 B13R0.182 CC(C)SCCNC(=O)CCC(=O)N 240690a_100000731138_100011215257 [0,0,0,0,0,2|2,0,0]=4 4147 B13R0.182 CC(C)SCCNC(=O)CCC(=O)N 527a_100000731138_100011215257 [0,0,0,0,0,2|2,0,0]=4 4148 B13R0.182 CC(C)SCCNC(=O)CNC(=O)N 240690a_100000731138_100000184981 [0,0,0,0,0,2|2,0,0]=4 4149 B13R0.182 CC(C)SCCNC(=O)CNC(=O)N 527a_100000731138_100000184981 [0,0,0,0,0,2|2,0,0]=4 4150 B13R0.182 CC(C)SCCNC(=O)CSC(=O)N 240690a_100000731138_200015941356 [0,0,0,0,0,2|2,0,0]=4 4151 B13R0.182 CC(C)SCCNC(=O)NCC(=O)N 2708a_100000731138_100000711301 [0,0,0,0,0,2|2,0,0]=4 4152 B13R0.182 CC(C)SCCNC(=O)NCC(=O)N 273464a_100000711301_100000731138 [0,0,0,0,0,2|2,0,0]=4 4153 B13R0.182 CC(C)SCCNC(=O)NCC(=O)N 273464a_100000731138_100000711301 [0,0,0,0,0,2|2,0,0]=4 4154 B13R0.182 CC(C)SCCNC(=O)NCC(=O)N 512a_100000731138_100000711301 [0,0,0,0,0,2|2,0,0]=4 4155 B13R0.1398 C=C(C)CNNC(=O)CCCC(C)C 22a_100000729518_100011216857 [0,0,0,0,0,2|2,0,0]=4 4156 B13R0.1398 C=C(C)CNNC(=O)NCCC(C)C 273464a_100000210545_100000729518 [0,0,0,0,0,2|2,0,0]=4 4157 B13R0.1398 C=C(C)CNNC(=O)NCCC(C)C 512a_100000210545_100000729518 [0,0,0,0,0,2|2,0,0]=4 4158 B13R0.1398 C=C(C)CNNC(=O)NCCC(C)C 512a_100000729518_100000210545 [0,0,0,0,0,2|2,0,0]=4 4159 B13R0.1398 CC(=CCCC(=O)CCCC(C)C)C 1458a_100011216857_100011217483 [0,0,0,0,0,2|2,0,0]=4 4160 B13R0.1398 CC(=CCNC(=O)CCCC(C)C)C 11a_100000718196_100011216857 [0,0,0,0,0,2|2,0,0]=4 4161 B13R0.1398 CC(=CCNC(=O)CCCC(C)C)C 1626a_100000718196_100011216857 [0,0,0,0,0,2|2,0,0]=4 4162 B13R0.1398 CC(=CCNC(=O)CCCC(C)C)C 527a_100000718196_100011216857 [0,0,0,0,0,2|2,0,0]=4 4163 B13R0.1398 CC(=CCNC(=O)NCCC(C)C)C 2708a_100000210545_100000718196 [0,0,0,0,0,2|2,0,0]=4 4164 B13R0.1398 CC(=CCNC(=O)NCCC(C)C)C 2708a_100000718196_100000210545 [0,0,0,0,0,2|2,0,0]=4 4165 B13R0.1398 CC(=CCNC(=O)NCCC(C)C)C 273464a_100000210545_100000718196 [0,0,0,0,0,2|2,0,0]=4 4166 B13R0.1398 CC(=CCNC(=O)NCCC(C)C)C 273464a_100000718196_100000210545 [0,0,0,0,0,2|2,0,0]=4 4167 B13R0.1398 CC(=CCNC(=O)NCCC(C)C)C 512a_100000210545_100000718196 [0,0,0,0,0,2|2,0,0]=4 4168 B13R0.1398 CC(=CCNC(=O)NCCC(C)C)C 512a_100000718196_100000210545 [0,0,0,0,0,2|2,0,0]=4 4169 B13R0.1398 CC(=O)CCCC(=O)CCCC(C)C 1458a_100011216857_100011215641 [0,0,0,0,0,2|1,0,0]=3 4170 B13R0.1398 CC(=O)CCCC(=O)COCC(C)C 1458a_100011223364_100011215641 [0,0,0,0,0,2|2,0,0]=4 4171 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100000183196_100011214892 [0,0,0,0,0,2|1,0,0]=3 4172 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)C 1458a_100011216857_100000189650 [0,0,0,0,0,2|1,0,0]=3 4173 B13R0.1398 CC(=O)NCCC(=O)CCCC(C)O 1458a_100000183196_200000718107 [0,0,0,0,0,2|2,0,0]=4 4174 B13R0.1398 CC(=O)NCCC(=O)CCCN(C)C 1458a_100000183196_100000695564 [0,0,0,0,0,2|2,0,0]=4 4175 B13R0.1398 CC(=O)NCCC(=O)CCOC(C)C 1458a_100000183196_100000211751 [0,0,0,0,0,2|2,0,0]=4 4176 B13R0.1398 CC(=O)NCCC(=O)CCSC(C)C 1458a_100000183196_100000730970 [0,0,0,0,0,2|2,0,0]=4 4177 B13R0.1398 CC(=O)NCCC(=O)COCC(C)C 1458a_100011223364_100000189650 [0,0,0,0,0,2|2,0,0]=4 4178 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 11a_100000210545_100000183196 [0,0,0,0,0,2|1,0,0]=3 4179 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 1626a_100000210545_100000183196 [0,0,0,0,0,2|1,0,0]=3 4180 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 240690a_100000210545_100000183196 [0,0,0,0,0,2|1,0,0]=3 4181 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)C 527a_100000210545_100000183196 [0,0,0,0,0,2|1,0,0]=3 4182 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)O 240690a_200000755665_100000183196 [0,0,0,0,0,2|2,0,0]=4 4183 B13R0.1398 CC(=O)NCCC(=O)NCCC(C)O 527a_200000755665_100000183196 [0,0,0,0,0,2|2,0,0]=4 4184 B13R0.1398 CC(=O)NCCC(=O)NCCN(C)C 240690a_100000210585_100000183196 [0,0,0,0,0,2|2,0,0]=4 4185 B13R0.1398 CC(=O)NCCC(=O)NCCN(C)C 527a_100000210585_100000183196 [0,0,0,0,0,2|2,0,0]=4 4186 B13R0.1398 CC(=O)NCCC(=O)NNCC(C)C 22a_100000696102_100000183196 [0,0,0,0,0,2|2,0,0]=4 4187 B13R0.1398 CC(=O)OCCC(=O)CCCC(C)C 1458a_100011216857_100009814007 [0,0,0,0,0,2|1,0,0]=3 4188 B13R0.1398 CC(=O)OCCC(=O)COCC(C)C 1458a_100011223364_100009814007 [0,0,0,0,0,2|2,0,0]=4 4189 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)C 1458a_100000048949_100011214892 [0,0,0,0,0,2|1,0,0]=3 4190 B13R0.1398 CC(=O)SCCC(=O)CCCC(C)O 1458a_100000048949_200000718107 [0,0,0,0,0,2|2,0,0]=4 4191 B13R0.1398 CC(=O)SCCC(=O)CCCN(C)C 1458a_100000048949_100000695564 [0,0,0,0,0,2|2,0,0]=4 4192 B13R0.1398 CC(=O)SCCC(=O)CCOC(C)C 1458a_100000048949_100000211751 [0,0,0,0,0,2|2,0,0]=4 4193 B13R0.1398 CC(=O)SCCC(=O)CCSC(C)C 1458a_100000048949_100000730970 [0,0,0,0,0,2|2,0,0]=4 4194 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)C 1626a_100000210545_100000048949 [0,0,0,0,0,2|1,0,0]=3 4195 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)C 240690a_100000210545_100000048949 [0,0,0,0,0,2|1,0,0]=3 4196 B13R0.1398 CC(=O)SCCC(=O)NCCC(C)O 240690a_200000755665_100000048949 [0,0,0,0,0,2|2,0,0]=4 4197 B13R0.1398 CC(=O)SCCC(=O)NCCN(C)C 240690a_100000210585_100000048949 [0,0,0,0,0,2|2,0,0]=4 4198 B13R0.1398 CC(C)CCCC(=O)CCCC(=O)N 1458a_100011216857_100102525003 [0,0,0,0,0,2|2,0,0]=4 4199 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100000181464_100011214892 [0,0,0,0,0,2|2,0,0]=4 4200 B13R0.1398 CC(C)CCCC(=O)CCNC(=O)N 1458a_100011216857_200000034859 [0,0,0,0,0,2|2,0,0]=4 4201 B13R0.1398 CC(C)CCCC(=O)CCOC(=O)N 1458a_100011216857_200011214921 [0,0,0,0,0,2|2,0,0]=4 4202 B13R0.1398 CC(C)CCCC(=O)COCC(=O)N 1458a_100011219004_100011214892 [0,0,0,0,0,2|2,0,0]=4 4203 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 11a_100000740010_100011216857 [0,0,0,0,0,2|2,0,0]=4 4204 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 240690a_100000740010_100011216857 [0,0,0,0,0,2|2,0,0]=4 4205 B13R0.1398 CC(C)CCCC(=O)NCCC(=O)N 527a_100000740010_100011216857 [0,0,0,0,0,2|2,0,0]=4 4206 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N 240690a_100000210545_100000181464 [0,0,0,0,0,2|2,0,0]=4 4207 B13R0.1398 CC(C)CCNC(=O)CCNC(=O)N 527a_100000210545_100000181464 [0,0,0,0,0,2|2,0,0]=4 4208 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 1626a_100000210545_100011219004 [0,0,0,0,0,2|2,0,0]=4 4209 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 240690a_100000210545_100011219004 [0,0,0,0,0,2|2,0,0]=4 4210 B13R0.1398 CC(C)CCNC(=O)COCC(=O)N 527a_100000210545_100011219004 [0,0,0,0,0,2|2,0,0]=4 4211 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 11a_100000210545_100000150265 [0,0,0,0,0,2|2,0,0]=4 4212 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 240690a_100000210545_100000150265 [0,0,0,0,0,2|2,0,0]=4 4213 B13R0.1398 CC(C)CCNC(=O)CSCC(=O)N 527a_100000210545_100000150265 [0,0,0,0,0,2|2,0,0]=4 4214 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 2708a_100000210545_100000740010 [0,0,0,0,0,2|2,0,0]=4 4215 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 273464a_100000210545_100000740010 [0,0,0,0,0,2|2,0,0]=4 4216 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 273464a_100000740010_100000210545 [0,0,0,0,0,2|2,0,0]=4 4217 B13R0.1398 CC(C)CCNC(=O)NCCC(=O)N 512a_100000210545_100000740010 [0,0,0,0,0,2|2,0,0]=4 4218 B13R0.178 C=C(C)CC(=O)CCCCCC(C)C 1458a_100000766313_100000748629 [0,0,0,0,0,2|2,0,0]=4 4219 B13R0.178 C=C(C)COCCOC(=O)CC(=O)C 34a_100000210245_100000102702 [0,0,0,0,0,2|0,0,2]=4 4220 B13R0.178 C=C(C)CSCCOC(=O)CC(=O)C 62a_100000102702_100000211660 [0,0,0,0,0,2|0,0,2]=4 4221 B13R0.178 C=C(C)CSCCOC(=O)CC(=O)C 62a_100000748629_100000102702 [0,0,0,0,0,2|0,0,2]=4 4222 B13R0.178 CC(=O)CC(=O)NCCCOC(C)C 1458a_100000070787_100000230355 [0,0,0,0,0,2|1,0,0]=3 4223 B13R0.178 CC(=O)CC(=O)OCCNCC(C)C 34a_100000210953_100000102702 [0,0,0,0,0,2|0,0,0]=2 4224 B13R0.178 CC(=O)CC(=O)OCCNCC(C)O 34a_100000210904_100000102702 [0,0,0,0,0,2|1,0,0]=3 4225 B13R0.178 CC(=O)CC(=O)OCCNCC(F)F 34a_100000765723_100000102702 [0,0,0,0,0,2|2,0,0]=4 4226 B13R0.178 CC(=O)CC(=O)OCCOCC(C)Br 34a_100012180447_100000102702 [0,0,0,0,0,2|1,0,0]=3 4227 B13R0.178 CC(=O)CC(=O)OCCOCC(C)C 34a_100000210257_100000102702 [0,0,0,0,0,2|0,0,0]=2 4228 B13R0.178 CC(=O)CC(=O)OCCOCC(C)F 34a_100015925927_100000102702 [0,0,0,0,0,2|1,0,0]=3 4229 B13R0.178 CC(=O)CC(=O)OCCOCC(F)F 34a_100000743014_100000102702 [0,0,0,0,0,2|2,0,0]=4 4230 B13R0.178 CC(=O)CC(=O)OCCOC[C@@H](C)Cl 34a_100016084084_100000102702 [0,0,0,0,0,2|1,0,0]=3 4231 B13R0.178 CC(=O)CC(=O)OCCOC[C@@H](C)N 34a_100000737577_100000102702 [0,0,0,0,0,2|1,0,0]=3 4232 B13R0.178 CC(=O)CC(=O)OCCSCC(C)C 62a_100000102702_100000210760 [0,0,0,0,0,2|0,0,0]=2 4233 B13R0.178 CC(=O)CC(=O)OCCSCC(C)C 62a_100000210624_100000102702 [0,0,0,0,0,2|0,0,0]=2 4234 B13R0.178 CC(=O)CC(=O)OCCSCC(C)O 62a_100000102702_100011218427 [0,0,0,0,0,2|1,0,0]=3 4235 B13R0.178 CC(=O)CC(=O)OCCSCC(C)O 62a_100011218427_100000102702 [0,0,0,0,0,2|1,0,0]=3 4236 B13R0.178 CC(=O)CC(=O)OCCSCC(F)F 62a_100000102702_100011934356 [0,0,0,0,0,2|2,0,0]=4 4237 B13R0.178 CC(=O)CC(=O)OCCSCC(F)F 62a_100011934356_100000102702 [0,0,0,0,0,2|2,0,0]=4 4238 B13R0.178 CC(=O)CC(=O)OCCSC[C@@H](C)O 62a_100000102702_100009817552 [0,0,0,0,0,2|1,0,0]=3 4239 B13R0.178 CC(=O)CC(=O)OCCSC[C@@H](C)O 62a_100009817552_100000102702 [0,0,0,0,0,2|1,0,0]=3 4240 B13R0.178 CC(=O)COCCOC(=O)CC(=O)C 34a_100000211253_100000102702 [0,0,0,0,0,2|1,0,1]=4 4241 B13R0.178 CC(=O)NC(=O)COCCCC(C)C 7a_100000210774_100000183797 [0,0,0,0,0,2|1,0,0]=3 4242 B13R0.178 CC(=O)NC(=O)COCCOC(C)C 7a_100000211219_100000183797 [0,0,0,0,0,2|1,0,0]=3 4243 B13R0.178 CC(=O)NC(=O)COCCSC(C)C 7a_200011212901_100000183797 [0,0,0,0,0,2|1,0,0]=3 4244 B13R0.178 CC(=O)NC(=O)CSCCCC(C)C 62a_100011214892_100000183797 [0,0,0,0,0,2|1,1,0]=4 4245 B13R0.178 CC(=O)NC(=O)CSCCOC(C)C 62a_100000211751_100000183797 [0,0,0,0,0,2|1,1,0]=4 4246 B13R0.178 CC(=O)NC(=O)CSCCSC(C)C 62a_100000730970_100000183797 [0,0,0,0,0,2|1,1,0]=4 4247 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100000766313_100000187820 [0,0,0,0,0,2|2,0,0]=4 4248 B13R0.178 CC(C)CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210682 [0,0,0,0,0,2|2,0,0]=4 4249 B13R0.178 CC(C)CCCCCC(=O)CC(=O)[O-] 1458a_100000766313_100020667443 [0,0,0,0,0,2|2,0,0]=4 4250 B13R0.178 CC(C)CCCOCC(=O)NC(=O)N 7a_100000210774_100000182717 [0,0,0,0,0,2|2,0,0]=4 4251 B13R0.178 CC(C)CCOCCC(=O)NC(=O)N 7a_100000210254_100000237605 [0,0,0,0,0,2|2,0,0]=4 4252 B13R0.178 CC(C)CSCCOC(=O)NC(=O)N 62a_100000210624_100000054987 [0,0,0,0,0,2|2,0,0]=4 4253 B13R0.178 CC(C)NCCCOC(=O)NC(=O)N 2230a_100138425928_100000057794 [0,0,0,0,0,2|2,0,0]=4 4254 B13R0.178 CC(C)OCCCNC(=O)CC(=O)N 240690a_100000737246_100134613110 [0,0,0,0,0,2|2,0,0]=4 4255 B13R0.178 CC(C)OCCCNC(=O)CC(=O)N 527a_100000737246_100134613110 [0,0,0,0,0,2|2,0,0]=4 4256 B13R0.178 CC(C)OCCOCC(=O)NC(=O)N 7a_100000211219_100000182717 [0,0,0,0,0,2|2,0,0]=4 4257 B13R0.178 CC(C)SCCCOC(=O)NC(=O)N 62a_100000210206_100000057794 [0,0,0,0,0,2|2,0,0]=4 4258 B13R0.178 CC(C)SCCOCC(=O)NC(=O)N 7a_200011212901_100000182717 [0,0,0,0,0,2|2,0,0]=4