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512a_100000078944_200000755665 [0,0,0,0,0,0|4,0,0]=4 22 B18R0.233 CC(O)CCNC(=O)NCCCCCCCCCO 512a_200000755665_100000078944 [0,0,0,0,0,0|4,0,0]=4 23 B18R0.233 CC(O)CNNC(=O)CCCCCCCCCCO 22a_200000730056_200000016029 [0,0,0,0,0,0|4,0,0]=4 24 B18R0.233 CCCCCCCCCC=CC(=O)CCCC(C)O 1458a_200015352897_200000718107 [0,0,0,0,0,0|2,0,2]=4 25 B18R0.233 CCCCCCCCCC=CC(=O)CCCN(C)C 1458a_200015352897_100000695564 [0,0,0,0,0,0|2,0,2]=4 26 B18R0.233 CCCCCCCCCC=CC(=O)CCOC(C)C 1458a_200015352897_100000211751 [0,0,0,0,0,0|2,0,2]=4 27 B18R0.233 CCCCCCCCCC=CC(=O)CCSC(C)C 1458a_200015352897_100000730970 [0,0,0,0,0,0|2,0,2]=4 28 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)C 11a_100000210545_200015352897 [0,0,0,0,0,0|1,0,2]=3 29 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)C 1626a_100000210545_200015352897 [0,0,0,0,0,0|1,0,2]=3 30 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)C 240690a_100000210545_200015352897 [0,0,0,0,0,0|1,0,2]=3 31 B18R0.233 CCCCCCCCCC=CC(=O)NCCC(C)O 240690a_200000755665_200015352897 [0,0,0,0,0,0|2,0,2]=4 32 B18R0.233 CCCCCCCCCC=CC(=O)NCCN(C)C 240690a_100000210585_200015352897 [0,0,0,0,0,0|2,0,2]=4 33 B18R0.233 CCCCCCCCCC=CC(=O)NNCC(C)C 22a_100000696102_200015352897 [0,0,0,0,0,0|2,0,2]=4 34 B18R0.233 CCCCCCCCCCCC(=NNCC(C)O)C 4a_200000730056_100011216755 [0,0,0,0,0,0|4,0,0]=4 35 B18R0.233 CCCCCCCCCCCC(=O)C=CCN(C)C 1458a_100000754359_100011215454 [0,0,0,0,0,0|2,0,1]=3 36 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210736_100011215641 [0,0,0,0,0,0|2,0,1]=3 37 B18R0.233 CCCCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210736_100102525003 [0,0,0,0,0,0|3,0,1]=4 38 B18R0.233 CCCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210736_200000718107 [0,0,0,0,0,0|2,0,0]=2 39 B18R0.233 CCCCCCCCCCCC(=O)CCCN(C)C 1458a_100000210736_100000695564 [0,0,0,0,0,0|2,0,0]=2 40 B18R0.233 CCCCCCCCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100011215454 [0,0,0,0,0,0|4,0,0]=4 41 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000183196_100011215454 [0,0,0,0,0,0|3,0,1]=4 42 B18R0.233 CCCCCCCCCCCC(=O)CCNC(=O)C 1458a_100000210736_100000189650 [0,0,0,0,0,0|3,0,1]=4 43 B18R0.233 CCCCCCCCCCCC(=O)CCOC(=O)C 1458a_100000210736_100009814007 [0,0,0,0,0,0|3,0,1]=4 44 B18R0.233 CCCCCCCCCCCC(=O)CCOC(C)C 1458a_100000210736_100000211751 [0,0,0,0,0,0|2,0,0]=2 45 B18R0.233 CCCCCCCCCCCC(=O)CCSC(=O)C 1458a_100000048949_100011215454 [0,0,0,0,0,0|3,0,1]=4 46 B18R0.233 CCCCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100011215454 [0,0,0,0,0,0|2,0,0]=2 47 B18R0.233 CCCCCCCCCCCC(=O)NCC=C(C)C 11a_100000718196_100000210736 [0,0,0,0,0,0|1,0,2]=3 48 B18R0.233 CCCCCCCCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000210736 [0,0,0,0,0,0|1,0,2]=3 49 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 11a_100000740010_100000210736 [0,0,0,0,0,0|3,0,1]=4 50 B18R0.233 CCCCCCCCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000210736 [0,0,0,0,0,0|3,0,1]=4 51 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210736 [0,0,0,0,0,0|1,0,0]=1 52 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210736 [0,0,0,0,0,0|1,0,0]=1 53 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210736 [0,0,0,0,0,0|1,0,0]=1 54 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210736 [0,0,0,0,0,0|2,0,0]=2 55 B18R0.233 CCCCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100000210736 [0,0,0,0,0,0|2,0,0]=2 56 B18R0.233 CCCCCCCCCCCC(=O)NN=CC(C)C 4a_200011219152_100000210432 [0,0,0,0,0,0|2,0,1]=3 57 B18R0.233 CCCCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100000210736 [0,0,0,0,0,0|2,0,0]=2 58 B18R0.233 CCCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000210736 [0,0,0,0,0,0|3,0,0]=3 59 B18R0.233 CCCCCCCCCCCC(=O)OCCC(=O)C 1458a_100000070787_100000091854 [0,0,0,0,0,0|1,0,1]=2 60 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 2230a_100102631434_100000091854 [0,0,0,0,0,0|1,0,0]=1 61 B18R0.233 CCCCCCCCCCCC(=O)OCCN(C)C 269982a_100102631434_100000091854 [0,0,0,0,0,0|1,0,0]=1 62 B18R0.233 CCCCCCCCCCCC(=O)OCNC(C)C 2230a_100138425928_100020644155 [0,0,0,0,0,0|1,0,0]=1 63 B18R0.233 CCCCCCCCCCCC(=O)OCNC(C)C 34a_100138425928_100020644155 [0,0,0,0,0,0|1,0,0]=1 64 B18R0.233 CCCCCCCCCCCC(=O)OCOC(C)C 34a_100000212225_100020644155 [0,0,0,0,0,0|1,0,0]=1 65 B18R0.233 CCCCCCCCCCCC(=O)OCSC(C)C 62a_100000210206_100020644155 [0,0,0,0,0,0|1,0,0]=1 66 B18R0.233 CCCCCCCCCCCC(C)NCCC(C)C 270004a_100000210545_100011216755 [0,0,0,0,0,0|2,0,1]=3 67 B18R0.233 CCCCCCCCCCCC(C)NCCC(C)O 270004a_200000755665_100011216755 [0,0,0,0,0,0|3,0,1]=4 68 B18R0.233 CCCCCCCCCCCC(C)NCCN(C)C 270004a_100000210585_100011216755 [0,0,0,0,0,0|3,0,1]=4 69 B18R0.233 CCCCCCCCCCCC(C)OCCC(=O)C 7a_100011217895_100000053229 [0,0,0,0,0,0|2,0,2]=4 70 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 34a_100011217895_100012276601 [0,0,0,0,0,0|2,0,1]=3 71 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 7a_100011217895_100012276601 [0,0,0,0,0,0|2,0,1]=3 72 B18R0.233 CCCCCCCCCCCC(C)OCCN(C)C 7a_100011217895_100000755713 [0,0,0,0,0,0|2,0,1]=3 73 B18R0.233 CCCCCCCCCCCC(C)OCOC(C)C 34a_100011217895_100000709892 [0,0,0,0,0,0|2,0,1]=3 74 B18R0.233 CCCCCCCCCCCN(C)CCCN(C)C 269982a_100000225831_100011215454 [0,0,0,0,0,0|4,0,0]=4 75 B18R0.233 CCCCCCCCCCNC(=O)C/C=C/C(C)C 11a_100000684558_100016292215 [0,0,0,0,0,0|2,0,2]=4 76 B18R0.233 CCCCCCCCCCNC(=O)C/C=C/C(C)C 1626a_100000684558_100016292215 [0,0,0,0,0,0|2,0,2]=4 77 B18R0.233 CCCCCCCCCCNC(=O)C/C=C/C(C)C 240690a_100000684558_100016292215 [0,0,0,0,0,0|2,0,2]=4 78 B18R0.233 CCCCCCCCCCNC(=O)C=CCN(C)C 240690a_100000684558_100000754359 [0,0,0,0,0,0|3,0,1]=4 79 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 11a_100000684558_100011216857 [0,0,0,0,0,0|2,0,0]=2 80 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 1626a_100000684558_100011216857 [0,0,0,0,0,0|2,0,0]=2 81 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 240690a_100000684558_100011216857 [0,0,0,0,0,0|2,0,0]=2 82 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)C 527a_100000684558_100011216857 [0,0,0,0,0,0|2,0,0]=2 83 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 1626a_100000684558_100000761597 [0,0,0,0,0,0|3,0,0]=3 84 B18R0.233 CCCCCCCCCCNC(=O)CCCC(C)O 527a_100000684558_100000761597 [0,0,0,0,0,0|3,0,0]=3 85 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C 11a_100000684558_100000740757 [0,0,0,0,0,0|3,0,0]=3 86 B18R0.233 CCCCCCCCCCNC(=O)CCCN(C)C 240690a_100000684558_100000740757 [0,0,0,0,0,0|3,0,0]=3 87 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 11a_100000684558_100011223364 [0,0,0,0,0,0|3,0,0]=3 88 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 1626a_100000684558_100011223364 [0,0,0,0,0,0|3,0,0]=3 89 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 240690a_100000684558_100011223364 [0,0,0,0,0,0|3,0,0]=3 90 B18R0.233 CCCCCCCCCCNC(=O)COCC(C)C 527a_100000684558_100011223364 [0,0,0,0,0,0|3,0,0]=3 91 B18R0.233 CCCCCCCCCCNC(=O)NCC=C(C)C 2708a_100000684558_100000718196 [0,0,0,0,0,0|2,0,2]=4 92 B18R0.233 CCCCCCCCCCNC(=O)NCC=C(C)C 2708a_100000718196_100000684558 [0,0,0,0,0,0|2,0,2]=4 93 B18R0.233 CCCCCCCCCCNC(=O)NCC=C(C)C 273464a_100000684558_100000718196 [0,0,0,0,0,0|2,0,2]=4 94 B18R0.233 CCCCCCCCCCNC(=O)NCC=C(C)C 273464a_100000718196_100000684558 [0,0,0,0,0,0|2,0,2]=4 95 B18R0.233 CCCCCCCCCCNC(=O)NCC=C(C)C 512a_100000684558_100000718196 [0,0,0,0,0,0|2,0,2]=4 96 B18R0.233 CCCCCCCCCCNC(=O)NCC=C(C)C 512a_100000718196_100000684558 [0,0,0,0,0,0|2,0,2]=4 97 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000684558 [0,0,0,0,0,0|2,0,0]=2 98 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000684558_100000210545 [0,0,0,0,0,0|2,0,0]=2 99 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000684558 [0,0,0,0,0,0|2,0,0]=2 100 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000684558_100000210545 [0,0,0,0,0,0|2,0,0]=2 101 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000684558 [0,0,0,0,0,0|2,0,0]=2 102 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)C 512a_100000684558_100000210545 [0,0,0,0,0,0|2,0,0]=2 103 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 2708a_100000684558_200000755665 [0,0,0,0,0,0|3,0,0]=3 104 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000684558 [0,0,0,0,0,0|3,0,0]=3 105 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_100000684558_200000755665 [0,0,0,0,0,0|3,0,0]=3 106 B18R0.233 CCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000684558 [0,0,0,0,0,0|3,0,0]=3 107 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 2708a_100000684558_100000210585 [0,0,0,0,0,0|3,0,0]=3 108 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210585_100000684558 [0,0,0,0,0,0|3,0,0]=3 109 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000684558_100000210585 [0,0,0,0,0,0|3,0,0]=3 110 B18R0.233 CCCCCCCCCCNC(=O)NCCN(C)C 512a_100000684558_100000210585 [0,0,0,0,0,0|3,0,0]=3 111 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)C 273464a_100000684558_100000696102 [0,0,0,0,0,0|3,0,0]=3 112 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)C 512a_100000684558_100000696102 [0,0,0,0,0,0|3,0,0]=3 113 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)C 512a_100000696102_100000684558 [0,0,0,0,0,0|3,0,0]=3 114 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)O 512a_100000684558_200000730056 [0,0,0,0,0,0|4,0,0]=4 115 B18R0.233 CCCCCCCCCCNC(=O)NNCC(C)O 512a_200000730056_100000684558 [0,0,0,0,0,0|4,0,0]=4 116 B18R0.233 CCCCCCCCCCNC(C)CCCC(C)C 2230a_100000210607_100000210320 [0,0,0,0,0,0|3,0,1]=4 117 B18R0.233 CCCCCCCCCCNC(C)CCCC(C)C 270004a_100000684558_100000753411 [0,0,0,0,0,0|3,0,1]=4 118 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)C 2230a_100000210953_100000210668 [0,0,0,0,0,0|3,0,0]=3 119 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)C 34a_100000210953_100000210668 [0,0,0,0,0,0|3,0,0]=3 120 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)O 2230a_100000210904_100000210668 [0,0,0,0,0,0|4,0,0]=4 121 B18R0.233 CCCCCCCCCCOC(=O)CNCC(C)O 34a_100000210904_100000210668 [0,0,0,0,0,0|4,0,0]=4 122 B18R0.233 CCCCCCCCCCOC(=O)COCC(C)Br 34a_100012180447_100000210668 [0,0,0,0,0,0|4,0,0]=4 123 B18R0.233 CCCCCCCCCCOC(=O)COCC(C)C 34a_100000210257_100000210668 [0,0,0,0,0,0|3,0,0]=3 124 B18R0.233 CCCCCCCCCCOC(=O)COCC(C)F 34a_100015925927_100000210668 [0,0,0,0,0,0|4,0,0]=4 125 B18R0.233 CCCCCCCCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000210668 [0,0,0,0,0,0|4,0,0]=4 126 B18R0.233 CCCCCCCCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000210668 [0,0,0,0,0,0|4,0,0]=4 127 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)C 62a_100000210624_100000680656 [0,0,0,0,0,0|3,0,0]=3 128 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)C 62a_100000680656_100000210760 [0,0,0,0,0,0|3,0,0]=3 129 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)O 62a_100000680656_100011218427 [0,0,0,0,0,0|4,0,0]=4 130 B18R0.233 CCCCCCCCCCOC(=O)CSCC(C)O 62a_100011218427_100000680656 [0,0,0,0,0,0|4,0,0]=4 131 B18R0.233 CCCCCCCCCCOC(=O)CSC[C@@H](C)O 62a_100000680656_100009817552 [0,0,0,0,0,0|4,0,0]=4 132 B18R0.233 CCCCCCCCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000680656 [0,0,0,0,0,0|4,0,0]=4 133 B18R0.233 CCCCCCCCNCCC(C)CCCC(C)C 2230a_100000229939_100009816328 [0,0,0,0,0,0|3,0,1]=4 134 B18R0.233 CCCCCCCCNCCC(C)CCCC(C)C 2230a_102516457229_100000210759 [0,0,0,0,0,0|3,0,1]=4 135 B18R0.233 CCCCCCCCNCCC(C)CCCC(C)C 34a_100000229939_100009816328 [0,0,0,0,0,0|3,0,1]=4 136 B18R0.233 CN(C)CC=CC(=O)CCCCCCCCCCO 1458a_100000754359_100009813290 [0,0,0,0,0,0|3,0,1]=4 137 B18R0.233 CN(C)CCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000740757 [0,0,0,0,0,0|4,0,0]=4 138 B18R0.233 CN(C)CCNC(=O)CCCCCCCCCCO 240690a_100000210585_200000016029 [0,0,0,0,0,0|3,0,0]=3 139 B18R0.233 CN(C)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000210585 [0,0,0,0,0,0|4,0,0]=4 140 B18R0.233 CN(C)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000210585 [0,0,0,0,0,0|4,0,0]=4 141 B18R0.233 CN(C)CCNC(=O)NCCCCCCCCCO 273464a_100000210585_100000078944 [0,0,0,0,0,0|4,0,0]=4 142 B18R0.233 CN(C)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000210585 [0,0,0,0,0,0|4,0,0]=4 143 B17R0.38 C#CCCCCCCCCC(=O)CCCC(C)C 1458a_100000029693_100011214892 [1,0,0,0,0,0|1,0,2]=4 144 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000029693 [1,0,0,0,0,0|1,0,2]=4 145 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000029693 [1,0,0,0,0,0|1,0,2]=4 146 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000029693 [1,0,0,0,0,0|1,0,2]=4 147 B17R0.38 C#CCCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000029693 [1,0,0,0,0,0|1,0,2]=4 148 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)C 1458a_100000211349_100011214892 [1,0,0,0,0,0|1,0,2]=4 149 B17R0.38 C=CCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100011933949 [1,0,0,0,0,0|1,0,2]=4 150 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000211349 [1,0,0,0,0,0|1,0,2]=4 151 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000211349 [1,0,0,0,0,0|1,0,2]=4 152 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000211349 [1,0,0,0,0,0|1,0,2]=4 153 B17R0.38 C=CCCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000211349 [1,0,0,0,0,0|1,0,2]=4 154 B17R0.38 CC#CCCCCCCCC(=O)CCCC(C)C 1458a_100000066323_100011214892 [1,0,0,0,0,0|1,0,2]=4 155 B17R0.38 CC#CCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000066323 [1,0,0,0,0,0|1,0,2]=4 156 B17R0.38 CC#CCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000066323 [1,0,0,0,0,0|1,0,2]=4 157 B17R0.38 CC#CCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000066323 [1,0,0,0,0,0|1,0,2]=4 158 B17R0.38 CC#CCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000066323 [1,0,0,0,0,0|1,0,2]=4 159 B17R0.38 CC(C)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100011214892 [1,0,0,0,0,0|2,0,0]=3 160 B17R0.38 CC(C)CCCC(=O)CCCCCCCCCO 1458a_100011216857_100009813782 [1,0,0,0,0,0|2,0,0]=3 161 B17R0.38 CC(C)CCCC(=O)NCCCCCCCCO 240690a_102515433106_100011216857 [1,0,0,0,0,0|3,0,0]=4 162 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 11a_100000210545_200009909015 [1,0,0,0,0,0|2,0,0]=3 163 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 240690a_100000210545_200009909015 [1,0,0,0,0,0|2,0,0]=3 164 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCF 527a_100000210545_200009909015 [1,0,0,0,0,0|2,0,0]=3 165 B17R0.38 CC(C)CCNC(=O)CCCCCCCCCO 240690a_100000210545_100000032657 [1,0,0,0,0,0|2,0,0]=3 166 B17R0.38 CC(C)CCNC(=O)NCCCCCCCCO 2708a_100000210545_102515433106 [1,0,0,0,0,0|3,0,0]=4 167 B17R0.38 CC(C)CCNC(=O)NCCCCCCCCO 2708a_102515433106_100000210545 [1,0,0,0,0,0|3,0,0]=4 168 B17R0.38 CC(C)CCNC(=O)NCCCCCCCCO 273464a_100000210545_102515433106 [1,0,0,0,0,0|3,0,0]=4 169 B17R0.38 CC(C)CCNC(=O)NCCCCCCCCO 273464a_102515433106_100000210545 [1,0,0,0,0,0|3,0,0]=4 170 B17R0.38 CC(C)CCNC(=O)NCCCCCCCCO 512a_100000210545_102515433106 [1,0,0,0,0,0|3,0,0]=4 171 B17R0.38 CC(C)CCNC(=O)NCCCCCCCCO 512a_102515433106_100000210545 [1,0,0,0,0,0|3,0,0]=4 172 B17R0.38 CC(C)CNNC(=O)CCCCCCCCCF 22a_100000696102_200009909015 [1,0,0,0,0,0|3,0,0]=4 173 B17R0.38 CC(C)CNNC(=O)CCCCCCCCCO 22a_100000696102_100000032657 [1,0,0,0,0,0|3,0,0]=4 174 B17R0.38 CC(C)COCC(=O)CCCCCCCCCO 1458a_100011223364_100009813782 [1,0,0,0,0,0|3,0,0]=4 175 B17R0.38 CC(C)OCCC(=O)CCCCCCCCCF 1458a_200009909015_100000211751 [1,0,0,0,0,0|3,0,0]=4 176 B17R0.38 CC(C)SCCC(=O)CCCCCCCCCF 1458a_200009909015_100000730970 [1,0,0,0,0,0|3,0,0]=4 177 B17R0.38 CC(O)CCCC(=O)CCCCCCCCCF 1458a_200009909015_200000718107 [1,0,0,0,0,0|3,0,0]=4 178 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCF 240690a_200000755665_200009909015 [1,0,0,0,0,0|3,0,0]=4 179 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCF 527a_200000755665_200009909015 [1,0,0,0,0,0|3,0,0]=4 180 B17R0.38 CC(O)CCNC(=O)CCCCCCCCCO 240690a_200000755665_100000032657 [1,0,0,0,0,0|3,0,0]=4 181 B17R0.38 CCC#CCCCCCCC(=O)CCCC(C)C 1458a_100011216857_200000036426 [1,0,0,0,0,0|1,0,2]=4 182 B17R0.38 CCCCCCCCC=CC(=O)CCCC(C)C 1458a_100015345288_100011214892 [1,0,0,0,0,0|1,0,2]=4 183 B17R0.38 CCCCCCCCC=CC(=O)NCCC(C)C 11a_100000210545_100015345288 [1,0,0,0,0,0|1,0,2]=4 184 B17R0.38 CCCCCCCCC=CC(=O)NCCC(C)C 1626a_100000210545_100015345288 [1,0,0,0,0,0|1,0,2]=4 185 B17R0.38 CCCCCCCCC=CC(=O)NCCC(C)C 240690a_100000210545_100015345288 [1,0,0,0,0,0|1,0,2]=4 186 B17R0.38 CCCCCCCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210319 [1,0,0,0,0,0|1,0,2]=4 187 B17R0.38 CCCCCCCCCCC(=O)C=CCN(C)C 1458a_100000754359_100000210319 [1,0,0,0,0,0|2,0,1]=4 188 B17R0.38 CCCCCCCCCCC(=O)CCC=C(C)C 1458a_100000210375_100011217483 [1,0,0,0,0,0|1,0,2]=4 189 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210375_100011215641 [1,0,0,0,0,0|2,0,1]=4 190 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100000210375_100011214892 [1,0,0,0,0,0|1,0,0]=2 191 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210319 [1,0,0,0,0,0|1,0,0]=2 192 B17R0.38 CCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210375_200000718107 [1,0,0,0,0,0|2,0,0]=3 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[1,0,0,0,0,0|2,0,0]=3 204 B17R0.38 CCCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100000210375 [1,0,0,0,0,0|2,0,0]=3 205 B17R0.38 CCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100000210375 [1,0,0,0,0,0|3,0,0]=4 206 B17R0.38 CCCCCCCCCCC(C)NCCC(C)C 270004a_100000210545_200011219864 [1,0,0,0,0,0|2,0,1]=4 207 B17R0.38 CCCCCCCCCCC(C)OCCC(C)C 34a_100011215000_100000210312 [1,0,0,0,0,0|1,0,1]=3 208 B17R0.38 CCCCCCCCCCC(C)OCCC(C)C 7a_100011215000_100000210626 [1,0,0,0,0,0|1,0,1]=3 209 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 34a_100011215000_100012276601 [1,0,0,0,0,0|2,0,1]=4 210 B17R0.38 CCCCCCCCCCC(C)OCCC(C)O 7a_100011215000_100012276601 [1,0,0,0,0,0|2,0,1]=4 211 B17R0.38 CCCCCCCCCCC(C)OCCN(C)C 7a_100011215000_100000755713 [1,0,0,0,0,0|2,0,1]=4 212 B17R0.38 CCCCCCCCCCC(C)OCOC(C)C 34a_100011215000_100000709892 [1,0,0,0,0,0|2,0,1]=4 213 B17R0.38 CCCCCCCCCCN(C)CCCC(C)C 2230a_100000207566_100011214892 [1,0,0,0,0,0|3,0,0]=4 214 B17R0.38 CCCCCCCCCCN(C)CCCC(C)C 269982a_100000207566_100011214892 [1,0,0,0,0,0|3,0,0]=4 215 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 11a_100000212291_100011216857 [1,0,0,0,0,0|2,0,0]=3 216 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 1626a_100000212291_100011216857 [1,0,0,0,0,0|2,0,0]=3 217 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 240690a_100000212291_100011216857 [1,0,0,0,0,0|2,0,0]=3 218 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)C 527a_100000212291_100011216857 [1,0,0,0,0,0|2,0,0]=3 219 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)O 1626a_100000212291_100000761597 [1,0,0,0,0,0|3,0,0]=4 220 B17R0.38 CCCCCCCCCNC(=O)CCCC(C)O 527a_100000212291_100000761597 [1,0,0,0,0,0|3,0,0]=4 221 B17R0.38 CCCCCCCCCNC(=O)CCCN(C)C 11a_100000212291_100000740757 [1,0,0,0,0,0|3,0,0]=4 222 B17R0.38 CCCCCCCCCNC(=O)CCCN(C)C 240690a_100000212291_100000740757 [1,0,0,0,0,0|3,0,0]=4 223 B17R0.38 CCCCCCCCCNC(=O)COCC(C)C 11a_100000212291_100011223364 [1,0,0,0,0,0|3,0,0]=4 224 B17R0.38 CCCCCCCCCNC(=O)COCC(C)C 1626a_100000212291_100011223364 [1,0,0,0,0,0|3,0,0]=4 225 B17R0.38 CCCCCCCCCNC(=O)COCC(C)C 240690a_100000212291_100011223364 [1,0,0,0,0,0|3,0,0]=4 226 B17R0.38 CCCCCCCCCNC(=O)COCC(C)C 527a_100000212291_100011223364 [1,0,0,0,0,0|3,0,0]=4 227 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000212291 [1,0,0,0,0,0|2,0,0]=3 228 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 2708a_100000212291_100000210545 [1,0,0,0,0,0|2,0,0]=3 229 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000212291 [1,0,0,0,0,0|2,0,0]=3 230 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 273464a_100000212291_100000210545 [1,0,0,0,0,0|2,0,0]=3 231 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000212291 [1,0,0,0,0,0|2,0,0]=3 232 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)C 512a_100000212291_100000210545 [1,0,0,0,0,0|2,0,0]=3 233 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 2708a_100000212291_200000755665 [1,0,0,0,0,0|3,0,0]=4 234 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000212291 [1,0,0,0,0,0|3,0,0]=4 235 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 512a_100000212291_200000755665 [1,0,0,0,0,0|3,0,0]=4 236 B17R0.38 CCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000212291 [1,0,0,0,0,0|3,0,0]=4 237 B17R0.38 CCCCCCCCCNC(=O)NCCN(C)C 2708a_100000212291_100000210585 [1,0,0,0,0,0|3,0,0]=4 238 B17R0.38 CCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210585_100000212291 [1,0,0,0,0,0|3,0,0]=4 239 B17R0.38 CCCCCCCCCNC(=O)NCCN(C)C 273464a_100000212291_100000210585 [1,0,0,0,0,0|3,0,0]=4 240 B17R0.38 CCCCCCCCCNC(=O)NCCN(C)C 512a_100000212291_100000210585 [1,0,0,0,0,0|3,0,0]=4 241 B17R0.38 CCCCCCCCCNC(=O)NNCC(C)C 273464a_100000212291_100000696102 [1,0,0,0,0,0|3,0,0]=4 242 B17R0.38 CCCCCCCCCNC(=O)NNCC(C)C 512a_100000212291_100000696102 [1,0,0,0,0,0|3,0,0]=4 243 B17R0.38 CCCCCCCCCNC(=O)NNCC(C)C 512a_100000696102_100000212291 [1,0,0,0,0,0|3,0,0]=4 244 B17R0.38 CCCCCCCCOCC(=O)CCCC(C)C 1458a_100000759886_100011214892 [1,0,0,0,0,0|2,0,0]=3 245 B17R0.38 CCCCCCCCOCC(=O)CCCC(C)O 1458a_100000759886_200000718107 [1,0,0,0,0,0|3,0,0]=4 246 B17R0.38 CCCCCCCCOCC(=O)CCCN(C)C 1458a_100000759886_100000695564 [1,0,0,0,0,0|3,0,0]=4 247 B17R0.38 CCCCCCCCOCC(=O)CCOC(C)C 1458a_100000759886_100000211751 [1,0,0,0,0,0|3,0,0]=4 248 B17R0.38 CCCCCCCCOCC(=O)CCSC(C)C 1458a_100000759886_100000730970 [1,0,0,0,0,0|3,0,0]=4 249 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 11a_100000210545_100000759886 [1,0,0,0,0,0|2,0,0]=3 250 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 1626a_100000210545_100000759886 [1,0,0,0,0,0|2,0,0]=3 251 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 240690a_100000210545_100000759886 [1,0,0,0,0,0|2,0,0]=3 252 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)C 527a_100000210545_100000759886 [1,0,0,0,0,0|2,0,0]=3 253 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)O 240690a_200000755665_100000759886 [1,0,0,0,0,0|3,0,0]=4 254 B17R0.38 CCCCCCCCOCC(=O)NCCC(C)O 527a_200000755665_100000759886 [1,0,0,0,0,0|3,0,0]=4 255 B17R0.38 CCCCCCCCOCC(=O)NCCN(C)C 240690a_100000210585_100000759886 [1,0,0,0,0,0|3,0,0]=4 256 B17R0.38 CCCCCCCCOCC(=O)NCCN(C)C 527a_100000210585_100000759886 [1,0,0,0,0,0|3,0,0]=4 257 B17R0.38 CCCCCCCCOCC(=O)NNCC(C)C 22a_100000696102_100000759886 [1,0,0,0,0,0|3,0,0]=4 258 B17R0.38 CN(C)CCCC(=O)CCCCCCCCCF 1458a_200009909015_100000695564 [1,0,0,0,0,0|3,0,0]=4 259 B17R0.38 CN(C)CCNC(=O)CCCCCCCCCF 240690a_100000210585_200009909015 [1,0,0,0,0,0|3,0,0]=4 260 B17R0.38 CN(C)CCNC(=O)CCCCCCCCCF 527a_100000210585_200009909015 [1,0,0,0,0,0|3,0,0]=4 261 B17R0.38 CN(C)CCNC(=O)CCCCCCCCCO 240690a_100000210585_100000032657 [1,0,0,0,0,0|3,0,0]=4 262 B17R0.43 C#CCCCCCCCCCCOCCC(C)C 34a_100000054667_100000210312 [1,0,0,0,0,0|0,0,3]=4 263 B17R0.43 C#CCCCCCCCCCCOCCC(C)C 7a_100000054667_100000210626 [1,0,0,0,0,0|0,0,3]=4 264 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000210810_100000730704 [1,0,0,0,0,0|0,0,3]=4 265 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 34a_100000764851_100000759014 [1,0,0,0,0,0|0,0,3]=4 266 B17R0.43 C=C(C)CCOCCCCCCCCCCCC 7a_100000210810_100000730704 [1,0,0,0,0,0|0,0,3]=4 267 B17R0.43 C=CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011093070 [1,0,0,0,0,0|0,0,3]=4 268 B17R0.43 C=CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011093070 [1,0,0,0,0,0|0,0,3]=4 269 B17R0.43 CC(Br)CCOCCCCCCCCCCCO 34a_100009893172_100009812471 [1,0,0,0,0,0|2,0,1]=4 270 B17R0.43 CC(C)CCCNCCCCCCCCCCO 2230a_100000066964_100011214892 [1,0,0,0,0,0|3,0,0]=4 271 B17R0.43 CC(C)CCCNCCCCCCCCCCO 2230a_200000737386_100009813290 [1,0,0,0,0,0|3,0,0]=4 272 B17R0.43 CC(C)CCCNCCCCCCCCCCO 34a_100000066964_100011214892 [1,0,0,0,0,0|3,0,0]=4 273 B17R0.43 CC(C)CCCNCCCCCCCCCCO 34a_200000737386_100009813290 [1,0,0,0,0,0|3,0,0]=4 274 B17R0.43 CC(C)CCCOCCCCCCCCCCBr 34a_100009813290_100011214892 [1,0,0,0,0,0|3,0,0]=4 275 B17R0.43 CC(C)CCCOCCCCCCCCCCBr 7a_100009813290_100011214892 [1,0,0,0,0,0|3,0,0]=4 276 B17R0.43 CC(C)CCCOCCCCCCCCCCCl 34a_200000033068_100011214892 [1,0,0,0,0,0|3,0,0]=4 277 B17R0.43 CC(C)CCCOCCCCCCCCCCCl 7a_200000033068_100011214892 [1,0,0,0,0,0|3,0,0]=4 278 B17R0.43 CC(C)CCCOCCCCCCCCCCN 34a_100000066964_100011214892 [1,0,0,0,0,0|3,0,0]=4 279 B17R0.43 CC(C)CCCOCCCCCCCCCCO 34a_100000210774_100009813290 [1,0,0,0,0,0|3,0,0]=4 280 B17R0.43 CC(C)CCCOCCCCCCCCCCO 7a_100000210774_100009813290 [1,0,0,0,0,0|3,0,0]=4 281 B17R0.43 CC(C)CCCSCCCCCCCCCCO 62a_100009813290_100011214892 [1,0,0,0,0,0|3,0,0]=4 282 B17R0.43 CC(C)CCCSCCCCCCCCCCO 62a_100011214892_200000033068 [1,0,0,0,0,0|3,0,0]=4 283 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 34a_100009812471_100000210312 [1,0,0,0,0,0|1,0,1]=3 284 B17R0.43 CC(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000210626 [1,0,0,0,0,0|1,0,1]=3 285 B17R0.43 CC(C)CCOCCCCCCCCCCCO 34a_100000210254_100009812471 [1,0,0,0,0,0|1,0,1]=3 286 B17R0.43 CC(C)CCOCCCCCCCCCCCO 7a_100000210254_100009812471 [1,0,0,0,0,0|1,0,1]=3 287 B17R0.43 CC(C)CCSCCCCCCCCCCCO 62a_100009812471_100000210312 [1,0,0,0,0,0|1,1,1]=4 288 B17R0.43 CC(C)OCOCCCCCCCCCCCBr 34a_100009812471_100000709892 [1,0,0,0,0,0|2,0,1]=4 289 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 34a_100009812471_100012276601 [1,0,0,0,0,0|2,0,1]=4 290 B17R0.43 CC(O)CCOCCCCCCCCCCCBr 7a_100009812471_100012276601 [1,0,0,0,0,0|2,0,1]=4 291 B17R0.43 CCC#CCCCCCCCCOCCC(C)C 34a_200000031908_100000210312 [1,0,0,0,0,0|0,0,3]=4 292 B17R0.43 CCC#CCCCCCCCCOCCC(C)C 7a_200000031908_100000210626 [1,0,0,0,0,0|0,0,3]=4 293 B17R0.43 CCCCC#CCCCCCCOCCC(C)C 34a_100000210254_200000043322 [1,0,0,0,0,0|0,0,3]=4 294 B17R0.43 CCCCC#CCCCCCCOCCC(C)C 7a_100000210254_200000043322 [1,0,0,0,0,0|0,0,3]=4 295 B17R0.43 CCCCCCCCC/C=C/COCCC(C)C 34a_100015232335_100000210312 [1,0,0,0,0,0|0,0,3]=4 296 B17R0.43 CCCCCCCCC/C=C/COCCC(C)C 7a_100015232335_100000210626 [1,0,0,0,0,0|0,0,3]=4 297 B17R0.43 CCCCCCCCCC/C=C/COCC(C)C 34a_200025761149_100000210624 [1,0,0,0,0,0|2,0,1]=4 298 B17R0.43 CCCCCCCCCC/C=C/COCC(C)C 7a_200025761149_100000210760 [1,0,0,0,0,0|2,0,1]=4 299 B17R0.43 CCCCCCCCCCCC=NNCC(C)O 4a_200000730056_100011218549 [1,0,0,0,0,0|3,0,0]=4 300 B17R0.43 CCCCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210322 [1,0,0,0,0,0|2,0,1]=4 301 B17R0.43 CCCCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210322 [1,0,0,0,0,0|2,0,1]=4 302 B17R0.43 CCCCCCCCCCCCCCCN(C)C 270004a_100102631434_100012088177 [1,0,0,0,0,0|2,0,1]=4 303 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100011217771_100000210206 [1,0,0,0,0,0|2,0,1]=4 304 B17R0.43 CCCCCCCCCCCCCCNC(C)C 2230a_100138425928_100011215471 [1,0,0,0,0,0|2,0,1]=4 305 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100011217771_100000210206 [1,0,0,0,0,0|2,0,1]=4 306 B17R0.43 CCCCCCCCCCCCCCNC(C)C 34a_100138425928_100011215471 [1,0,0,0,0,0|2,0,1]=4 307 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100000210953_100000210684 [1,0,0,0,0,0|2,0,1]=4 308 B17R0.43 CCCCCCCCCCCCCNCC(C)C 2230a_100011215765_100000210760 [1,0,0,0,0,0|2,0,1]=4 309 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100000210953_200011215488 [1,0,0,0,0,0|2,0,1]=4 310 B17R0.43 CCCCCCCCCCCCCNCC(C)C 270004a_100011215765_100000210432 [1,0,0,0,0,0|2,0,1]=4 311 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100000210953_100000210684 [1,0,0,0,0,0|2,0,1]=4 312 B17R0.43 CCCCCCCCCCCCCNCC(C)C 34a_100011215765_100000210624 [1,0,0,0,0,0|2,0,1]=4 313 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000185773_100000210624 [1,0,0,0,0,0|2,0,1]=4 314 B17R0.43 CCCCCCCCCCCCCOCC(C)C 34a_100000210257_100000210684 [1,0,0,0,0,0|2,0,1]=4 315 B17R0.43 CCCCCCCCCCCCCOCC(C)C 7a_100000185773_100000210760 [1,0,0,0,0,0|2,0,1]=4 316 B17R0.43 CCCCCCCCCCCCNCCC(C)C 2230a_100000210451_100000210312 [1,0,0,0,0,0|1,0,1]=3 317 B17R0.43 CCCCCCCCCCCCNCCC(C)C 269862a_100000210451_100000185833 [1,0,0,0,0,0|1,0,1]=3 318 B17R0.43 CCCCCCCCCCCCNCCC(C)C 270004a_100000210545_100011218549 [1,0,0,0,0,0|1,0,1]=3 319 B17R0.43 CCCCCCCCCCCCNCCC(C)C 34a_100000210451_100000210312 [1,0,0,0,0,0|1,0,1]=3 320 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_100000210451_100012276601 [1,0,0,0,0,0|2,0,1]=4 321 B17R0.43 CCCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215052 [1,0,0,0,0,0|2,0,1]=4 322 B17R0.43 CCCCCCCCCCCCNCCC(C)O 270004a_200000755665_100011218549 [1,0,0,0,0,0|2,0,1]=4 323 B17R0.43 CCCCCCCCCCCCNCCC(C)O 34a_100000210451_100012276601 [1,0,0,0,0,0|2,0,1]=4 324 B17R0.43 CCCCCCCCCCCCNCCN(C)C 270004a_100000210585_100011218549 [1,0,0,0,0,0|2,0,1]=4 325 B17R0.43 CCCCCCCCCCCCNCOC(C)C 2230a_100000210451_100000709892 [1,0,0,0,0,0|2,0,1]=4 326 B17R0.43 CCCCCCCCCCCCNCOC(C)C 34a_100000210451_100000709892 [1,0,0,0,0,0|2,0,1]=4 327 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000210810_100000761012 [1,0,0,0,0,0|0,0,3]=4 328 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 34a_100000753907_100000759014 [1,0,0,0,0,0|0,0,3]=4 329 B17R0.43 CCCCCCCCCCCCOCC=C(C)C 7a_100000210810_100000761012 [1,0,0,0,0,0|0,0,3]=4 330 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 34a_100000759926_100000759014 [1,0,0,0,0,0|1,0,2]=4 331 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000210810_100000053229 [1,0,0,0,0,0|1,0,2]=4 332 B17R0.43 CCCCCCCCCCCCOCCC(=O)C 7a_100000759926_100000759014 [1,0,0,0,0,0|1,0,2]=4 333 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210254_100000759014 [1,0,0,0,0,0|0,0,1]=2 334 B17R0.43 CCCCCCCCCCCCOCCC(C)C 34a_100000210810_100000210312 [1,0,0,0,0,0|0,0,1]=2 335 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210254_100000759014 [1,0,0,0,0,0|0,0,1]=2 336 B17R0.43 CCCCCCCCCCCCOCCC(C)C 7a_100000210810_100000210626 [1,0,0,0,0,0|0,0,1]=2 337 B17R0.43 CCCCCCCCCCCCOCCC(C)O 34a_100000210810_100012276601 [1,0,0,0,0,0|1,0,1]=3 338 B17R0.43 CCCCCCCCCCCCOCCC(C)O 7a_100000210810_100012276601 [1,0,0,0,0,0|1,0,1]=3 339 B17R0.43 CCCCCCCCCCCCOCCC(F)F 34a_100103093639_100000759014 [1,0,0,0,0,0|2,0,1]=4 340 B17R0.43 CCCCCCCCCCCCOCCN(C)C 7a_100000210810_100000755713 [1,0,0,0,0,0|1,0,1]=3 341 B17R0.43 CCCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100000759014 [1,0,0,0,0,0|1,0,1]=3 342 B17R0.43 CCCCCCCCCCCCOCOC(C)C 34a_100000210810_100000709892 [1,0,0,0,0,0|1,0,1]=3 343 B17R0.43 CCCCCCCCCCCCSCCC(C)O 62a_100012276601_100000759014 [1,0,0,0,0,0|1,1,1]=4 344 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200000737386_100011215454 [1,0,0,0,0,0|2,0,0]=3 345 B17R0.43 CCCCCCCCCCCNCCCC(C)C 2230a_200011215754_100011214892 [1,0,0,0,0,0|2,0,0]=3 346 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200000737386_100011215454 [1,0,0,0,0,0|2,0,0]=3 347 B17R0.43 CCCCCCCCCCCNCCCC(C)C 34a_200011215754_100011214892 [1,0,0,0,0,0|2,0,0]=3 348 B17R0.43 CCCCCCCCCCCNCCCC(C)O 2230a_200011215754_200000718107 [1,0,0,0,0,0|3,0,0]=4 349 B17R0.43 CCCCCCCCCCCNCCCC(C)O 34a_200011215754_200000718107 [1,0,0,0,0,0|3,0,0]=4 350 B17R0.43 CCCCCCCCCCCNCCOC(C)C 2230a_100000701111_100011215454 [1,0,0,0,0,0|3,0,0]=4 351 B17R0.43 CCCCCCCCCCCNCCOC(C)C 2230a_200011215754_100000211751 [1,0,0,0,0,0|3,0,0]=4 352 B17R0.43 CCCCCCCCCCCNCCOC(C)C 34a_100000701111_100011215454 [1,0,0,0,0,0|3,0,0]=4 353 B17R0.43 CCCCCCCCCCCNCCOC(C)C 34a_200011215754_100000211751 [1,0,0,0,0,0|3,0,0]=4 354 B17R0.43 CCCCCCCCCCCNCCSC(C)C 2230a_100000731138_100011215454 [1,0,0,0,0,0|3,0,0]=4 355 B17R0.43 CCCCCCCCCCCNCCSC(C)C 2230a_200011215754_100000730970 [1,0,0,0,0,0|3,0,0]=4 356 B17R0.43 CCCCCCCCCCCNCCSC(C)C 34a_100000731138_100011215454 [1,0,0,0,0,0|3,0,0]=4 357 B17R0.43 CCCCCCCCCCCNCCSC(C)C 34a_200011215754_100000730970 [1,0,0,0,0,0|3,0,0]=4 358 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210774_100011215454 [1,0,0,0,0,0|2,0,0]=3 359 B17R0.43 CCCCCCCCCCCOCCCC(C)C 34a_100000210809_100011214892 [1,0,0,0,0,0|2,0,0]=3 360 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210774_100011215454 [1,0,0,0,0,0|2,0,0]=3 361 B17R0.43 CCCCCCCCCCCOCCCC(C)C 7a_100000210809_100011214892 [1,0,0,0,0,0|2,0,0]=3 362 B17R0.43 CCCCCCCCCCCOCCCC(C)O 34a_100000210809_200000718107 [1,0,0,0,0,0|3,0,0]=4 363 B17R0.43 CCCCCCCCCCCOCCCC(C)O 7a_100000210809_200000718107 [1,0,0,0,0,0|3,0,0]=4 364 B17R0.43 CCCCCCCCCCCOCCCN(C)C 7a_100000210809_100000757444 [1,0,0,0,0,0|3,0,0]=4 365 B17R0.43 CCCCCCCCCCCOCCNC(C)C 34a_100000224655_100011215454 [1,0,0,0,0,0|3,0,0]=4 366 B17R0.43 CCCCCCCCCCCOCCOC(C)C 34a_100000210809_100000211751 [1,0,0,0,0,0|3,0,0]=4 367 B17R0.43 CCCCCCCCCCCOCCOC(C)C 34a_100000211219_100011215454 [1,0,0,0,0,0|3,0,0]=4 368 B17R0.43 CCCCCCCCCCCOCCOC(C)C 34a_100010166600_100000210206 [1,0,0,0,0,0|3,0,0]=4 369 B17R0.43 CCCCCCCCCCCOCCOC(C)C 7a_100000210809_100000211751 [1,0,0,0,0,0|3,0,0]=4 370 B17R0.43 CCCCCCCCCCCOCCOC(C)C 7a_100000211219_100011215454 [1,0,0,0,0,0|3,0,0]=4 371 B17R0.43 CCCCCCCCCCCOCCOC(C)C 7a_100010166600_100000210206 [1,0,0,0,0,0|3,0,0]=4 372 B17R0.43 CCCCCCCCCCCOCCSC(C)C 34a_100000210809_100000730970 [1,0,0,0,0,0|3,0,0]=4 373 B17R0.43 CCCCCCCCCCCOCCSC(C)C 34a_200011212901_100011215454 [1,0,0,0,0,0|3,0,0]=4 374 B17R0.43 CCCCCCCCCCCOCCSC(C)C 7a_100000210809_100000730970 [1,0,0,0,0,0|3,0,0]=4 375 B17R0.43 CCCCCCCCCCCOCCSC(C)C 7a_200011212901_100011215454 [1,0,0,0,0,0|3,0,0]=4 376 B17R0.43 CCCCCCCCCCCSCCCC(C)O 62a_200000718107_100011215454 [1,0,0,0,0,0|3,0,0]=4 377 B17R0.43 CCCCCCCCCCCSCCOC(C)C 62a_100000211751_100011215454 [1,0,0,0,0,0|3,0,0]=4 378 B17R0.43 CCCCCCCCCCNCCCCC(C)C 2230a_100000684558_100011216152 [1,0,0,0,0,0|2,0,1]=4 379 B17R0.43 CCCCCCCCCCNCCCCC(C)C 34a_100000684558_100011216152 [1,0,0,0,0,0|2,0,1]=4 380 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100000210711_100011216152 [1,0,0,0,0,0|2,0,1]=4 381 B17R0.43 CCCCCCCCCCOCCCCC(C)C 34a_100011214890_100000210320 [1,0,0,0,0,0|2,0,1]=4 382 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100000210711_100011216152 [1,0,0,0,0,0|2,0,1]=4 383 B17R0.43 CCCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210320 [1,0,0,0,0,0|2,0,1]=4 384 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100000212291_100000210682 [1,0,0,0,0,0|2,0,1]=4 385 B17R0.43 CCCCCCCCCNCCCCCC(C)C 2230a_100011290863_100011214924 [1,0,0,0,0,0|2,0,1]=4 386 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100000212291_100000210682 [1,0,0,0,0,0|2,0,1]=4 387 B17R0.43 CCCCCCCCCNCCCCCC(C)C 34a_100011290863_100011214924 [1,0,0,0,0,0|2,0,1]=4 388 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100000210712_100000210682 [1,0,0,0,0,0|2,0,1]=4 389 B17R0.43 CCCCCCCCCOCCCCCC(C)C 34a_100011995859_100011214924 [1,0,0,0,0,0|2,0,1]=4 390 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100000210712_100000210682 [1,0,0,0,0,0|2,0,1]=4 391 B17R0.43 CCCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210328 [1,0,0,0,0,0|2,0,1]=4 392 B17R0.43 CCCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210759 [1,0,0,0,0,0|2,0,1]=4 393 B17R0.43 CCCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210759 [1,0,0,0,0,0|2,0,1]=4 394 B17R0.43 CCCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210614 [1,0,0,0,0,0|2,0,1]=4 395 B17R0.43 CCCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210614 [1,0,0,0,0,0|2,0,1]=4 396 B17R0.43 CCCCCCOCCOCCOCCC(C)C 34a_100000032842_100000210312 [1,0,0,0,0,0|2,0,1]=4 397 B17R0.43 CCCCCCOCCOCCOCCC(C)C 7a_100000032842_100000210626 [1,0,0,0,0,0|2,0,1]=4 398 B17R0.43 CCOCCCCCCCCCOCCC(C)C 34a_100009875440_100000210312 [1,0,0,0,0,0|1,0,1]=3 399 B17R0.43 CCOCCCCCCCCCOCCC(C)C 7a_100009875440_100000210626 [1,0,0,0,0,0|1,0,1]=3 400 B17R0.43 CCOCCCCCCCCCOCCC(C)O 34a_100009875440_100012276601 [1,0,0,0,0,0|2,0,1]=4 401 B17R0.43 CCOCCCCCCCCCOCCC(C)O 7a_100009875440_100012276601 [1,0,0,0,0,0|2,0,1]=4 402 B17R0.43 CCOCCCCCCCCCOCCN(C)C 7a_100009875440_100000755713 [1,0,0,0,0,0|2,0,1]=4 403 B17R0.43 CCOCCCCCCCCCOCOC(C)C 34a_100009875440_100000709892 [1,0,0,0,0,0|2,0,1]=4 404 B17R0.43 CN(C)CCOCCCCCCCCCCCBr 7a_100009812471_100000755713 [1,0,0,0,0,0|2,0,1]=4 405 B17R0.43 C[C@@H](N)CCOCCCCCCCCCCCO 34a_100000706166_100009812471 [1,0,0,0,0,0|2,0,1]=4 406 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000731252 [1,0,0,0,0,0|1,0,2]=4 407 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000690238_100011215454 [1,0,0,0,0,0|1,0,2]=4 408 B17R0.3110 C#CCCCCCCCOCC(=O)OCCCC 34a_100000054614_100000211628 [1,0,0,0,0,0|1,0,2]=4 409 B17R0.3110 C#CCCCCCCCOCC(=O)OCCCC 7a_100000054614_100000211628 [1,0,0,0,0,0|1,0,2]=4 410 B17R0.3110 C#CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100153394163 [1,0,0,0,0,0|1,0,2]=4 411 B17R0.3110 C#CCCCCCCCSCC(=O)OCCCC 62a_100153394163_100000211628 [1,0,0,0,0,0|1,0,2]=4 412 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 11a_100000755551_100000210736 [1,0,0,0,0,0|1,0,2]=4 413 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 1626a_100000755551_100000210736 [1,0,0,0,0,0|1,0,2]=4 414 B17R0.3110 C#CCCNC(=O)CCCCCCCCCCC 240690a_100000755551_100000210736 [1,0,0,0,0,0|1,0,2]=4 415 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [1,0,0,0,0,0|1,0,2]=4 416 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [1,0,0,0,0,0|1,0,2]=4 417 B17R0.3110 C=CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100009814027 [1,0,0,0,0,0|1,0,2]=4 418 B17R0.3110 C=CCCCCCCCOCC(=O)OCCCC 34a_100000730831_100000211628 [1,0,0,0,0,0|1,0,2]=4 419 B17R0.3110 C=CCCCCCCCOCC(=O)OCCCC 7a_100000730831_100000211628 [1,0,0,0,0,0|1,0,2]=4 420 B17R0.3110 C=CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100012355270 [1,0,0,0,0,0|1,0,2]=4 421 B17R0.3110 C=CCCCCCCCSCC(=O)OCCCC 62a_100012355270_100000211628 [1,0,0,0,0,0|1,0,2]=4 422 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 11a_100015191253_100000210736 [1,0,0,0,0,0|1,0,2]=4 423 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 1626a_100015191253_100000210736 [1,0,0,0,0,0|1,0,2]=4 424 B17R0.3110 C=CCCNC(=O)CCCCCCCCCCC 240690a_100015191253_100000210736 [1,0,0,0,0,0|1,0,2]=4 425 B17R0.3110 CC#CCNC(=O)CCCCCCCCCCC 11a_100000685387_100000210736 [1,0,0,0,0,0|1,0,2]=4 426 B17R0.3110 CC#CCNC(=O)CCCCCCCCCCC 1626a_100000685387_100000210736 [1,0,0,0,0,0|1,0,2]=4 427 B17R0.3110 CC/C=C/CC(=O)CCCCCCCCCCC 1458a_100016274230_100011215454 [1,0,0,0,0,0|1,0,2]=4 428 B17R0.3110 CC/C=C\CC(=O)CCCCCCCCCCC 1458a_100000210736_100103147603 [1,0,0,0,0,0|1,0,2]=4 429 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 34a_100016268722_100000211628 [1,0,0,0,0,0|1,0,2]=4 430 B17R0.3110 CC/C=C\CCCCCOCC(=O)OCCCC 7a_100016268722_100000211628 [1,0,0,0,0,0|1,0,2]=4 431 B17R0.3110 CCC#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100009813939 [1,0,0,0,0,0|1,0,2]=4 432 B17R0.3110 CCC=NNC(=O)CCCCCCCCCCC 4a_200011219152_100000210100 [1,0,0,0,0,0|2,0,1]=4 433 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCC 1458a_200011218047_100011215454 [1,0,0,0,0,0|1,0,1]=3 434 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCO 1458a_200011218047_100009813290 [1,0,0,0,0,0|2,0,1]=4 435 B17R0.3110 CCCC#CC(=O)NCCCCCCCCCC 240690a_100000684558_200011218047 [1,0,0,0,0,0|2,0,1]=4 436 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCC 1458a_100000212230_100011215454 [1,0,0,0,0,0|1,0,1]=3 437 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCO 1458a_100000212230_100009813290 [1,0,0,0,0,0|2,0,1]=4 438 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100000212230 [1,0,0,0,0,0|2,0,1]=4 439 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100000212230 [1,0,0,0,0,0|2,0,1]=4 440 B17R0.3110 CCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100000212230 [1,0,0,0,0,0|2,0,1]=4 441 B17R0.3110 CCCCC#CCCCSCC(=O)OCCCC 62a_100000211628_200000047210 [1,0,0,0,0,0|1,0,2]=4 442 B17R0.3110 CCCCC#CCCCSCC(=O)OCCCC 62a_200000047210_100000211628 [1,0,0,0,0,0|1,0,2]=4 443 B17R0.3110 CCCCC/C=C\CCOCC(=O)OCCCC 34a_100016277358_100000211628 [1,0,0,0,0,0|1,0,2]=4 444 B17R0.3110 CCCCC/C=C\CCOCC(=O)OCCCC 7a_100016277358_100000211628 [1,0,0,0,0,0|1,0,2]=4 445 B17R0.3110 CCCCCC#CCCOCC(=O)OCCCC 34a_200000042877_100000211628 [1,0,0,0,0,0|1,0,2]=4 446 B17R0.3110 CCCCCC#CCCOCC(=O)OCCCC 7a_200000042877_100000211628 [1,0,0,0,0,0|1,0,2]=4 447 B17R0.3110 CCCCCC(=O)CCCCCCCCCCO 1458a_100000212188_100009813290 [1,0,0,0,0,0|2,0,0]=3 448 B17R0.3110 CCCCCC(=O)CNCCCCCCCCO 2230a_102515433106_200012276598 [1,0,0,0,0,0|3,0,0]=4 449 B17R0.3110 CCCCCC(=O)CNCCCCCCCCO 34a_102515433106_200012276598 [1,0,0,0,0,0|3,0,0]=4 450 B17R0.3110 CCCCCC(=O)COCCCCCCCCBr 34a_100009813846_200012276598 [1,0,0,0,0,0|3,0,0]=4 451 B17R0.3110 CCCCCC(=O)COCCCCCCCCBr 7a_100009813846_200012276598 [1,0,0,0,0,0|3,0,0]=4 452 B17R0.3110 CCCCCC(=O)COCCCCCCCCCl 34a_100000033203_200012276598 [1,0,0,0,0,0|3,0,0]=4 453 B17R0.3110 CCCCCC(=O)COCCCCCCCCCl 7a_100000033203_200012276598 [1,0,0,0,0,0|3,0,0]=4 454 B17R0.3110 CCCCCC(=O)COCCCCCCCCN 34a_102515433106_200012276598 [1,0,0,0,0,0|3,0,0]=4 455 B17R0.3110 CCCCCC(=O)COCCCCNCCCC 34a_200011216965_200012276598 [1,0,0,0,0,0|3,0,0]=4 456 B17R0.3110 CCCCCC(=O)COCCCCOCCCC 34a_200000760531_200012276598 [1,0,0,0,0,0|3,0,0]=4 457 B17R0.3110 CCCCCC(=O)COCCCCOCCCC 7a_200000760531_200012276598 [1,0,0,0,0,0|3,0,0]=4 458 B17R0.3110 CCCCCC(=O)CSCCCCCCCCO 62a_100000033203_200012276598 [1,0,0,0,0,0|3,0,0]=4 459 B17R0.3110 CCCCCC(=O)CSCCCCCCCCO 62a_200012276598_100000033203 [1,0,0,0,0,0|3,0,0]=4 460 B17R0.3110 CCCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000212188 [1,0,0,0,0,0|3,0,0]=4 461 B17R0.3110 CCCCCC/C=C/COCC(=O)OCCCC 34a_200016276170_100000211628 [1,0,0,0,0,0|1,0,2]=4 462 B17R0.3110 CCCCCC/C=C/COCC(=O)OCCCC 7a_200016276170_100000211628 [1,0,0,0,0,0|1,0,2]=4 463 B17R0.3110 CCCCCCC#CCOCC(=O)OCCCC 34a_200000037284_100000211628 [1,0,0,0,0,0|1,0,2]=4 464 B17R0.3110 CCCCCCC#CCOCC(=O)OCCCC 7a_200000037284_100000211628 [1,0,0,0,0,0|1,0,2]=4 465 B17R0.3110 CCCCCCCCCC=CC(=O)CCCCC 1458a_200015352897_100000210326 [1,0,0,0,0,0|1,0,2]=4 466 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 11a_100000102301_200015352897 [1,0,0,0,0,0|1,0,2]=4 467 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_200015352897 [1,0,0,0,0,0|1,0,2]=4 468 B17R0.3110 CCCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_200015352897 [1,0,0,0,0,0|1,0,2]=4 469 B17R0.3110 CCCCCCCCCCCC(=NNCCC)C 4a_100000740057_100011216755 [1,0,0,0,0,0|3,0,0]=4 470 B17R0.3110 CCCCCCCCCCCC(=O)C=CCOC 1458a_100016285016_100011215454 [1,0,0,0,0,0|2,0,1]=4 471 B17R0.3110 CCCCCCCCCCCC(=O)C=COCC 1458a_100016266692_100011215454 [1,0,0,0,0,0|2,0,1]=4 472 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011215454 [1,0,0,0,0,0|2,0,1]=4 473 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000210736_100000211468 [1,0,0,0,0,0|2,0,1]=4 474 B17R0.3110 CCCCCCCCCCCC(=O)CCCCF 1458a_100000210736_100000729493 [1,0,0,0,0,0|2,0,0]=3 475 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000210736_100000210776 [1,0,0,0,0,0|2,0,0]=3 476 B17R0.3110 CCCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100011215454 [1,0,0,0,0,0|2,0,0]=3 477 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000210736_100000740836 [1,0,0,0,0,0|2,0,0]=3 478 B17R0.3110 CCCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100011215454 [1,0,0,0,0,0|2,0,0]=3 479 B17R0.3110 CCCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011215454 [1,0,0,0,0,0|2,0,0]=3 480 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000210736_100011215890 [1,0,0,0,0,0|2,0,0]=3 481 B17R0.3110 CCCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100011215454 [1,0,0,0,0,0|2,0,0]=3 482 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000210736_100000757381 [1,0,0,0,0,0|2,0,0]=3 483 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100011215454 [1,0,0,0,0,0|2,0,0]=3 484 B17R0.3110 CCCCCCCCCCCC(=O)COCCC 1458a_100000745993_100011215454 [1,0,0,0,0,0|2,0,0]=3 485 B17R0.3110 CCCCCCCCCCCC(=O)COCCO 1458a_100000708028_100011215454 [1,0,0,0,0,0|3,0,0]=4 486 B17R0.3110 CCCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100011215454 [1,0,0,0,0,0|2,0,0]=3 487 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 11a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 488 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 1626a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 489 B17R0.3110 CCCCCCCCCCCC(=O)NCCC#N 240690a_100000720768_100000210736 [1,0,0,0,0,0|2,0,1]=4 490 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210736 [1,0,0,0,0,0|1,0,0]=2 491 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210736 [1,0,0,0,0,0|1,0,0]=2 492 B17R0.3110 CCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210736 [1,0,0,0,0,0|1,0,0]=2 493 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210736 [1,0,0,0,0,0|2,0,0]=3 494 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210736 [1,0,0,0,0,0|2,0,0]=3 495 B17R0.3110 CCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210736 [1,0,0,0,0,0|2,0,0]=3 496 B17R0.3110 CCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210736 [1,0,0,0,0,0|2,0,0]=3 497 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210736 [1,0,0,0,0,0|2,0,0]=3 498 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210736 [1,0,0,0,0,0|2,0,0]=3 499 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 34a_100007860320_200000210301 [1,0,0,0,0,0|2,0,0]=3 500 B17R0.3110 CCCCCCCCCCCC(=O)NCCOC 7a_100007860320_200000210301 [1,0,0,0,0,0|2,0,0]=3 501 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 34a_100007860320_200025704644 [1,0,0,0,0,0|2,0,0]=3 502 B17R0.3110 CCCCCCCCCCCC(=O)NCCO[13CH3] 7a_100007860320_200025704644 [1,0,0,0,0,0|2,0,0]=3 503 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210736 [1,0,0,0,0,0|2,0,0]=3 504 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210736 [1,0,0,0,0,0|2,0,0]=3 505 B17R0.3110 CCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210736 [1,0,0,0,0,0|2,0,0]=3 506 B17R0.3110 CCCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210736 [1,0,0,0,0,0|2,0,0]=3 507 B17R0.3110 CCCCCCCCCCCC(=O)NNCCO 22a_100000210001_100000210736 [1,0,0,0,0,0|3,0,0]=4 508 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 2230a_106832991635_100000091854 [1,0,0,0,0,0|1,0,0]=2 509 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 34a_100102657272_100000091854 [1,0,0,0,0,0|1,0,0]=2 510 B17R0.3110 CCCCCCCCCCCC(=O)OCCNC 7a_106832991635_100000091854 [1,0,0,0,0,0|1,0,0]=2 511 B17R0.3110 CCCCCCCCCCCC(=O)OCCOC 34a_100138415774_100000091854 [1,0,0,0,0,0|1,0,0]=2 512 B17R0.3110 CCCCCCCCCCCC(=O)OCCSC 62a_200000210301_100000091854 [1,0,0,0,0,0|1,0,0]=2 513 B17R0.3110 CCCCCCCCCCCC(=O)OCCS[13CH3] 62a_200025704644_100000091854 [1,0,0,0,0,0|1,0,0]=2 514 B17R0.3110 CCCCCCCCCCCC(=O)OCNCC 2230a_100015525214_100020644155 [1,0,0,0,0,0|1,0,0]=2 515 B17R0.3110 CCCCCCCCCCCC(=O)OCOCC 34a_100121572206_100020644155 [1,0,0,0,0,0|1,0,0]=2 516 B17R0.3110 CCCCCCCCCCCC(=O)OCSCC 62a_100000210202_100020644155 [1,0,0,0,0,0|1,0,0]=2 517 B17R0.3110 CCCCCCCCCCCC(=O)OCSCF 62a_100015361967_100020644155 [1,0,0,0,0,0|2,0,0]=3 518 B17R0.3110 CCCCCCCCCCCC(C)NCCCC 270004a_100000102301_100011216755 [1,0,0,0,0,0|2,0,1]=4 519 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 34a_100011217895_100011934791 [1,0,0,0,0,0|2,0,1]=4 520 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 7a_100011217895_100011934791 [1,0,0,0,0,0|2,0,1]=4 521 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 34a_100011217895_100000230001 [1,0,0,0,0,0|2,0,1]=4 522 B17R0.3110 CCCCCCCCCCCC(C)OCCCO 7a_100011217895_100011215043 [1,0,0,0,0,0|2,0,1]=4 523 B17R0.3110 CCCCCCCCCCCC(C)OCCOC 34a_100011217895_100011201679 [1,0,0,0,0,0|2,0,1]=4 524 B17R0.3110 CCCCCCCCCCCC(C)OCCOC 7a_100011217895_100000233755 [1,0,0,0,0,0|2,0,1]=4 525 B17R0.3110 CCCCCCCCCCCC(C)OCCSC 34a_100011217895_100000212216 [1,0,0,0,0,0|2,0,1]=4 526 B17R0.3110 CCCCCCCCCCCC(C)OCCSC 7a_100011217895_100000212216 [1,0,0,0,0,0|2,0,1]=4 527 B17R0.3110 CCCCCCCCCCCN(C)CCCCC 2230a_100000223495_100011215454 [1,0,0,0,0,0|3,0,0]=4 528 B17R0.3110 CCCCCCCCCCCN(C)CCCCC 269982a_100000223495_100011215454 [1,0,0,0,0,0|3,0,0]=4 529 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 11a_100000684558_100000212188 [1,0,0,0,0,0|2,0,0]=3 530 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 1626a_100000684558_100000212188 [1,0,0,0,0,0|2,0,0]=3 531 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 240690a_100000684558_100000212188 [1,0,0,0,0,0|2,0,0]=3 532 B17R0.3110 CCCCCCCCCCNC(=O)CCCCC 527a_100000684558_100000212188 [1,0,0,0,0,0|2,0,0]=3 533 B17R0.3110 CCCCCCCCCCNC(=O)CCCCO 1626a_100000684558_100000695505 [1,0,0,0,0,0|3,0,0]=4 534 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 11a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 535 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 1626a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 536 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 240690a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 537 B17R0.3110 CCCCCCCCCCNC(=O)CCCOC 527a_100000684558_100000741012 [1,0,0,0,0,0|3,0,0]=4 538 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 11a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 539 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 1626a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 540 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 240690a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 541 B17R0.3110 CCCCCCCCCCNC(=O)CCCSC 527a_100000684558_100000173376 [1,0,0,0,0,0|3,0,0]=4 542 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 11a_100000684558_100000749530 [1,0,0,0,0,0|3,0,0]=4 543 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 1626a_100000684558_100000749530 [1,0,0,0,0,0|3,0,0]=4 544 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 240690a_100000684558_100000749530 [1,0,0,0,0,0|3,0,0]=4 545 B17R0.3110 CCCCCCCCCCNC(=O)CCOCC 527a_100000684558_100000749530 [1,0,0,0,0,0|3,0,0]=4 546 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 11a_100000684558_100000230768 [1,0,0,0,0,0|3,0,0]=4 547 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 1626a_100000684558_100000230768 [1,0,0,0,0,0|3,0,0]=4 548 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 240690a_100000684558_100000230768 [1,0,0,0,0,0|3,0,0]=4 549 B17R0.3110 CCCCCCCCCCNC(=O)CCSCC 527a_100000684558_100000230768 [1,0,0,0,0,0|3,0,0]=4 550 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 11a_100000684558_100000745993 [1,0,0,0,0,0|3,0,0]=4 551 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 1626a_100000684558_100000745993 [1,0,0,0,0,0|3,0,0]=4 552 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 240690a_100000684558_100000745993 [1,0,0,0,0,0|3,0,0]=4 553 B17R0.3110 CCCCCCCCCCNC(=O)COCCC 527a_100000684558_100000745993 [1,0,0,0,0,0|3,0,0]=4 554 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 11a_100000684558_100000217233 [1,0,0,0,0,0|3,0,0]=4 555 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 1626a_100000684558_100000217233 [1,0,0,0,0,0|3,0,0]=4 556 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 240690a_100000684558_100000217233 [1,0,0,0,0,0|3,0,0]=4 557 B17R0.3110 CCCCCCCCCCNC(=O)CSCCC 527a_100000684558_100000217233 [1,0,0,0,0,0|3,0,0]=4 558 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000684558 [1,0,0,0,0,0|2,0,0]=3 559 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 2708a_100000684558_100000102301 [1,0,0,0,0,0|2,0,0]=3 560 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000684558 [1,0,0,0,0,0|2,0,0]=3 561 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 273464a_100000684558_100000102301 [1,0,0,0,0,0|2,0,0]=3 562 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000684558 [1,0,0,0,0,0|2,0,0]=3 563 B17R0.3110 CCCCCCCCCCNC(=O)NCCCC 512a_100000684558_100000102301 [1,0,0,0,0,0|2,0,0]=3 564 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100000684558_100015189416 [1,0,0,0,0,0|3,0,0]=4 565 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_100000684558 [1,0,0,0,0,0|3,0,0]=4 566 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100000684558_100015189416 [1,0,0,0,0,0|3,0,0]=4 567 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_100000684558 [1,0,0,0,0,0|3,0,0]=4 568 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100000684558_100015189416 [1,0,0,0,0,0|3,0,0]=4 569 B17R0.3110 CCCCCCCCCCNC(=O)NCCCF 512a_100015189416_100000684558 [1,0,0,0,0,0|3,0,0]=4 570 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 2708a_100000684558_100000182051 [1,0,0,0,0,0|3,0,0]=4 571 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_100000684558 [1,0,0,0,0,0|3,0,0]=4 572 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 273464a_100000684558_100000182051 [1,0,0,0,0,0|3,0,0]=4 573 B17R0.3110 CCCCCCCCCCNC(=O)NCCCO 512a_100000684558_100000182051 [1,0,0,0,0,0|3,0,0]=4 574 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 2708a_100000684558_100000209980 [1,0,0,0,0,0|3,0,0]=4 575 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_100000684558 [1,0,0,0,0,0|3,0,0]=4 576 B17R0.3110 CCCCCCCCCCNC(=O)NCCOC 273464a_100000684558_100000209980 [1,0,0,0,0,0|3,0,0]=4 577 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 2708a_100000684558_100020590264 [1,0,0,0,0,0|3,0,0]=4 578 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_100000684558 [1,0,0,0,0,0|3,0,0]=4 579 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 273464a_100000684558_100020590264 [1,0,0,0,0,0|3,0,0]=4 580 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_100000684558 [1,0,0,0,0,0|3,0,0]=4 581 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 512a_100000684558_100020590264 [1,0,0,0,0,0|3,0,0]=4 582 B17R0.3110 CCCCCCCCCCNC(=O)NCCSC 512a_100020590264_100000684558 [1,0,0,0,0,0|3,0,0]=4 583 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 273464a_100000684558_100000740057 [1,0,0,0,0,0|3,0,0]=4 584 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 512a_100000684558_100000740057 [1,0,0,0,0,0|3,0,0]=4 585 B17R0.3110 CCCCCCCCCCNC(=O)NNCCC 512a_100000740057_100000684558 [1,0,0,0,0,0|3,0,0]=4 586 B17R0.3110 CCCCCCCCCCOC(=O)COCCC 34a_100000210258_100000210668 [1,0,0,0,0,0|3,0,0]=4 587 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000210303_100000680656 [1,0,0,0,0,0|3,0,0]=4 588 B17R0.3110 CCCCCCCCCCOC(=O)CSCCC 62a_100000680656_100000210303 [1,0,0,0,0,0|3,0,0]=4 589 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 2230a_100000212291_200012276598 [1,0,0,0,0,0|2,0,0]=3 590 B17R0.3110 CCCCCCCCCNCC(=O)CCCCC 34a_100000212291_200012276598 [1,0,0,0,0,0|2,0,0]=3 591 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 2230a_100000212291_100000182744 [1,0,0,0,0,0|2,0,0]=3 592 B17R0.3110 CCCCCCCCCNCC(=O)NCCCC 34a_100000212291_100000182744 [1,0,0,0,0,0|2,0,0]=3 593 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 2230a_100000212291_100000183275 [1,0,0,0,0,0|3,0,0]=4 594 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100011214924 [1,0,0,0,0,0|3,0,0]=4 595 B17R0.3110 CCCCCCCCCNCC(=O)NCCOC 34a_100000212291_100000183275 [1,0,0,0,0,0|3,0,0]=4 596 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 2230a_100000212291_100000211628 [1,0,0,0,0,0|1,0,0]=2 597 B17R0.3110 CCCCCCCCCNCC(=O)OCCCC 34a_100000212291_100000211628 [1,0,0,0,0,0|1,0,0]=2 598 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 2230a_100000212291_200000040189 [1,0,0,0,0,0|2,0,0]=3 599 B17R0.3110 CCCCCCCCCNCC(=O)OCCOC 34a_100000212291_200000040189 [1,0,0,0,0,0|2,0,0]=3 600 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 34a_100000210712_200012276598 [1,0,0,0,0,0|2,0,0]=3 601 B17R0.3110 CCCCCCCCCOCC(=O)CCCCC 7a_100000210712_200012276598 [1,0,0,0,0,0|2,0,0]=3 602 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 34a_100000210712_100000182744 [1,0,0,0,0,0|2,0,0]=3 603 B17R0.3110 CCCCCCCCCOCC(=O)NCCCC 7a_100000210712_100000182744 [1,0,0,0,0,0|2,0,0]=3 604 B17R0.3110 CCCCCCCCCOCC(=O)NCCOC 34a_100000210712_100000183275 [1,0,0,0,0,0|3,0,0]=4 605 B17R0.3110 CCCCCCCCCOCC(=O)NCCOC 7a_100000210712_100000183275 [1,0,0,0,0,0|3,0,0]=4 606 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 34a_100000210712_100000211628 [1,0,0,0,0,0|1,0,0]=2 607 B17R0.3110 CCCCCCCCCOCC(=O)OCCCC 7a_100000210712_100000211628 [1,0,0,0,0,0|1,0,0]=2 608 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 34a_100000210712_200000040189 [1,0,0,0,0,0|2,0,0]=3 609 B17R0.3110 CCCCCCCCCOCC(=O)OCCOC 7a_100000210712_200000040189 [1,0,0,0,0,0|2,0,0]=3 610 B17R0.3110 CCCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210670 [1,0,0,0,0,0|2,0,0]=3 611 B17R0.3110 CCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210670 [1,0,0,0,0,0|2,0,0]=3 612 B17R0.3110 CCCCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210670 [1,0,0,0,0,0|3,0,0]=4 613 B17R0.3110 CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210670 [1,0,0,0,0,0|1,0,0]=2 614 B17R0.3110 CCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210670 [1,0,0,0,0,0|2,0,0]=3 615 B17R0.3110 CCCCCCOCCOCC(=O)CCCCC 34a_100000691444_200012276598 [1,0,0,0,0,0|3,0,0]=4 616 B17R0.3110 CCCCCCOCCOCC(=O)CCCCC 7a_100000691444_200012276598 [1,0,0,0,0,0|3,0,0]=4 617 B17R0.3110 CCCCCCOCCOCC(=O)NCCCC 34a_100000691444_100000182744 [1,0,0,0,0,0|3,0,0]=4 618 B17R0.3110 CCCCCCOCCOCC(=O)NCCCC 7a_100000691444_100000182744 [1,0,0,0,0,0|3,0,0]=4 619 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 34a_100000691444_100000211628 [1,0,0,0,0,0|2,0,0]=3 620 B17R0.3110 CCCCCCOCCOCC(=O)OCCCC 7a_100000691444_100000211628 [1,0,0,0,0,0|2,0,0]=3 621 B17R0.3110 CCCCCCOCCOCC(=O)OCCOC 34a_100000691444_200000040189 [1,0,0,0,0,0|3,0,0]=4 622 B17R0.3110 CCCCCCOCCOCC(=O)OCCOC 7a_100000691444_200000040189 [1,0,0,0,0,0|3,0,0]=4 623 B17R0.3110 CCCCNC(=O)CCCCCCCCCCO 240690a_100000102301_200000016029 [1,0,0,0,0,0|2,0,0]=3 624 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 2230a_102515433106_100000182744 [1,0,0,0,0,0|3,0,0]=4 625 B17R0.3110 CCCCNC(=O)CNCCCCCCCCO 34a_102515433106_100000182744 [1,0,0,0,0,0|3,0,0]=4 626 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 34a_100009813846_100000182744 [1,0,0,0,0,0|3,0,0]=4 627 B17R0.3110 CCCCNC(=O)COCCCCCCCCBr 7a_100009813846_100000182744 [1,0,0,0,0,0|3,0,0]=4 628 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 34a_100000033203_100000182744 [1,0,0,0,0,0|3,0,0]=4 629 B17R0.3110 CCCCNC(=O)COCCCCCCCCCl 7a_100000033203_100000182744 [1,0,0,0,0,0|3,0,0]=4 630 B17R0.3110 CCCCNC(=O)COCCCCCCCCN 34a_102515433106_100000182744 [1,0,0,0,0,0|3,0,0]=4 631 B17R0.3110 CCCCNC(=O)COCCCCOCCCC 34a_200000760531_100000182744 [1,0,0,0,0,0|3,0,0]=4 632 B17R0.3110 CCCCNC(=O)COCCCCOCCCC 7a_200000760531_100000182744 [1,0,0,0,0,0|3,0,0]=4 633 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000033203_100000182744 [1,0,0,0,0,0|3,0,0]=4 634 B17R0.3110 CCCCNC(=O)CSCCCCCCCCO 62a_100000182744_100000033203 [1,0,0,0,0,0|3,0,0]=4 635 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000102301 [1,0,0,0,0,0|3,0,0]=4 636 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 2708a_100000102301_100000078944 [1,0,0,0,0,0|3,0,0]=4 637 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000102301 [1,0,0,0,0,0|3,0,0]=4 638 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 273464a_100000102301_100000078944 [1,0,0,0,0,0|3,0,0]=4 639 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000102301 [1,0,0,0,0,0|3,0,0]=4 640 B17R0.3110 CCCCNC(=O)NCCCCCCCCCO 512a_100000102301_100000078944 [1,0,0,0,0,0|3,0,0]=4 641 B17R0.3110 CCCCNCCCCOCC(=O)NCCCC 34a_200011216965_100000182744 [1,0,0,0,0,0|3,0,0]=4 642 B17R0.3110 CCCCNCCCCOCC(=O)OCCCC 34a_200011216965_100000211628 [1,0,0,0,0,0|2,0,0]=3 643 B17R0.3110 CCCCNCCCCOCC(=O)OCCOC 34a_200011216965_200000040189 [1,0,0,0,0,0|3,0,0]=4 644 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 2230a_102515433106_100000211628 [1,0,0,0,0,0|2,0,0]=3 645 B17R0.3110 CCCCOC(=O)CNCCCCCCCCO 34a_102515433106_100000211628 [1,0,0,0,0,0|2,0,0]=3 646 B17R0.3110 CCCCOC(=O)CNCCOCCOCCC 2230a_200011904461_100000211628 [1,0,0,0,0,0|3,0,0]=4 647 B17R0.3110 CCCCOC(=O)CNCCOCCOCCC 34a_200011904461_100000211628 [1,0,0,0,0,0|3,0,0]=4 648 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 34a_100009813846_100000211628 [1,0,0,0,0,0|2,0,0]=3 649 B17R0.3110 CCCCOC(=O)COCCCCCCCCBr 7a_100009813846_100000211628 [1,0,0,0,0,0|2,0,0]=3 650 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 34a_100000033203_100000211628 [1,0,0,0,0,0|2,0,0]=3 651 B17R0.3110 CCCCOC(=O)COCCCCCCCCCl 7a_100000033203_100000211628 [1,0,0,0,0,0|2,0,0]=3 652 B17R0.3110 CCCCOC(=O)COCCCCCCCCN 34a_102515433106_100000211628 [1,0,0,0,0,0|2,0,0]=3 653 B17R0.3110 CCCCOC(=O)COCCCCCNCCN 34a_103619048469_100000211628 [1,0,0,0,0,0|3,0,0]=4 654 B17R0.3110 CCCCOC(=O)COCCCOCCCOC 34a_200011215475_100000211628 [1,0,0,0,0,0|3,0,0]=4 655 B17R0.3110 CCCCOC(=O)COCCCOCCCOC 7a_200011215475_100000211628 [1,0,0,0,0,0|3,0,0]=4 656 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000033203_100000211628 [1,0,0,0,0,0|2,0,0]=3 657 B17R0.3110 CCCCOC(=O)CSCCCCCCCCO 62a_100000211628_100000033203 [1,0,0,0,0,0|2,0,0]=3 658 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 34a_200000760531_100000211628 [1,0,0,0,0,0|2,0,0]=3 659 B17R0.3110 CCCCOCCCCOCC(=O)OCCCC 7a_200000760531_100000211628 [1,0,0,0,0,0|2,0,0]=3 660 B17R0.3110 CCCCOCCCCOCC(=O)OCCOC 34a_200000760531_200000040189 [1,0,0,0,0,0|3,0,0]=4 661 B17R0.3110 CCCCOCCCCOCC(=O)OCCOC 7a_200000760531_200000040189 [1,0,0,0,0,0|3,0,0]=4 662 B17R0.3110 CCCNNC(=O)CCCCCCCCCCO 22a_100000740057_200000016029 [1,0,0,0,0,0|3,0,0]=4 663 B17R0.3110 CCCOCC(=O)CCCCCCCCCCO 1458a_100000745993_100009813290 [1,0,0,0,0,0|3,0,0]=4 664 B17R0.3110 CCCSCC(=O)CCCCCCCCCCO 1458a_100000217233_100009813290 [1,0,0,0,0,0|3,0,0]=4 665 B17R0.3110 CCOCCC(=O)CCCCCCCCCCO 1458a_100000749530_100009813290 [1,0,0,0,0,0|3,0,0]=4 666 B17R0.3110 CCSCCC(=O)CCCCCCCCCCO 1458a_100000230768_100009813290 [1,0,0,0,0,0|3,0,0]=4 667 B17R0.3110 COCCCC(=O)CCCCCCCCCCO 1458a_100000741012_100009813290 [1,0,0,0,0,0|3,0,0]=4 668 B17R0.3110 COCCNC(=O)CCCCCCCCCCO 240690a_100000209980_200000016029 [1,0,0,0,0,0|3,0,0]=4 669 B17R0.3110 COCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200000040189 [1,0,0,0,0,0|3,0,0]=4 670 B17R0.3110 COCCOC(=O)CNCCCCCCCCO 34a_102515433106_200000040189 [1,0,0,0,0,0|3,0,0]=4 671 B17R0.3110 COCCOC(=O)COCCCCCCCCBr 34a_100009813846_200000040189 [1,0,0,0,0,0|3,0,0]=4 672 B17R0.3110 COCCOC(=O)COCCCCCCCCBr 7a_100009813846_200000040189 [1,0,0,0,0,0|3,0,0]=4 673 B17R0.3110 COCCOC(=O)COCCCCCCCCCl 34a_100000033203_200000040189 [1,0,0,0,0,0|3,0,0]=4 674 B17R0.3110 COCCOC(=O)COCCCCCCCCCl 7a_100000033203_200000040189 [1,0,0,0,0,0|3,0,0]=4 675 B17R0.3110 COCCOC(=O)COCCCCCCCCN 34a_102515433106_200000040189 [1,0,0,0,0,0|3,0,0]=4 676 B17R0.3110 COCCOC(=O)CSCCCCCCCCO 62a_100000033203_200000040189 [1,0,0,0,0,0|3,0,0]=4 677 B17R0.3110 COCCOC(=O)CSCCCCCCCCO 62a_200000040189_100000033203 [1,0,0,0,0,0|3,0,0]=4 678 B17R0.3110 CSCCCC(=O)CCCCCCCCCCO 1458a_100000173376_100009813290 [1,0,0,0,0,0|3,0,0]=4 679 B17R0.3110 CSCCNC(=O)CCCCCCCCCCO 240690a_100020590264_200000016029 [1,0,0,0,0,0|3,0,0]=4 680 B17R0.3110 O=C(CCCCCCCCCCO)NCCCF 240690a_100015189416_200000016029 [1,0,0,0,0,0|3,0,0]=4 681 B17R0.3110 O=C(CCCCCCCCCCO)NCCCO 240690a_100000182051_200000016029 [1,0,0,0,0,0|3,0,0]=4 682 B17R0.3110 O=C(CCCCO)CCCCCCCCCCO 1458a_100000695505_100009813290 [1,0,0,0,0,0|3,0,0]=4 683 B19R0.33 CC(C)CC(C)NC(=O)CCCCCCCCCCO 240690a_100000692259_200000016029 [0,1,0,0,0,0|2,0,0]=3 684 B19R0.33 CC(C)CC(C)NC(=O)NCCCCCCCCCO 2708a_100000078944_100000692259 [0,1,0,0,0,0|3,0,0]=4 685 B19R0.33 CC(C)CC(C)NC(=O)NCCCCCCCCCO 2708a_100000692259_100000078944 [0,1,0,0,0,0|3,0,0]=4 686 B19R0.33 CC(C)CC(C)NC(=O)NCCCCCCCCCO 273464a_100000692259_100000078944 [0,1,0,0,0,0|3,0,0]=4 687 B19R0.33 CC(C)CC(C)NC(=O)NCCCCCCCCCO 512a_100000078944_100000692259 [0,1,0,0,0,0|3,0,0]=4 688 B19R0.33 CC(C)CC(C)NC(=O)NCCCCCCCCCO 512a_100000692259_100000078944 [0,1,0,0,0,0|3,0,0]=4 689 B19R0.33 CC(CN(C)C)NC(=O)CCCCCCCCCCO 240690a_100016992788_200000016029 [0,1,0,0,0,0|3,0,0]=4 690 B19R0.33 CCCCCCCCCC=CC(=O)NC(C)CC(C)C 11a_100000692259_200015352897 [0,1,0,0,0,0|1,0,2]=4 691 B19R0.33 CCCCCCCCCC=CC(=O)NC(C)CC(C)C 1626a_100000692259_200015352897 [0,1,0,0,0,0|1,0,2]=4 692 B19R0.33 CCCCCCCCCC=CC(=O)NC(C)CC(C)C 240690a_100000692259_200015352897 [0,1,0,0,0,0|1,0,2]=4 693 B19R0.33 CCCCCCCCCCCC(=O)CC(=O)NC(C)C 1458a_100000210736_100000183996 [0,1,0,0,0,0|2,0,1]=4 694 B19R0.33 CCCCCCCCCCCC(=O)CC(=O)OC(C)C 1458a_100000210736_100011215430 [0,1,0,0,0,0|2,0,1]=4 695 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000210736 [0,1,0,0,0,0|1,0,0]=2 696 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210736 [0,1,0,0,0,0|1,0,0]=2 697 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210736 [0,1,0,0,0,0|1,0,0]=2 698 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000210736 [0,1,0,0,0,0|2,0,0]=3 699 B19R0.33 CCCCCCCCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210736 [0,1,0,0,0,0|2,0,0]=3 700 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000684558_100000692259 [0,1,0,0,0,0|2,0,0]=3 701 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000684558 [0,1,0,0,0,0|2,0,0]=3 702 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000684558 [0,1,0,0,0,0|2,0,0]=3 703 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000684558_100000692259 [0,1,0,0,0,0|2,0,0]=3 704 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000692259_100000684558 [0,1,0,0,0,0|2,0,0]=3 705 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CN(C)C 2708a_100000684558_100016992788 [0,1,0,0,0,0|3,0,0]=4 706 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CN(C)C 273464a_100000684558_100016992788 [0,1,0,0,0,0|3,0,0]=4 707 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CN(C)C 273464a_100016992788_100000684558 [0,1,0,0,0,0|3,0,0]=4 708 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CN(C)C 512a_100000684558_100016992788 [0,1,0,0,0,0|3,0,0]=4 709 B19R0.33 CCCCCCCCCCNC(=O)NC(C)CN(C)C 512a_100016992788_100000684558 [0,1,0,0,0,0|3,0,0]=4 710 B19R0.33 CCCCCCCCCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000210668 [0,1,0,0,0,0|2,0,1]=4 711 B19R0.33 CCCCCCCCCCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000210668 [0,1,0,0,0,0|3,0,0]=4 712 B19R0.33 CCCCCCCCCCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000210668 [0,1,0,0,0,0|3,0,0]=4 713 B19R0.56 CCOC(=O)CCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100009991516 [0,1,0,0,0,0|2,0,1]=4 714 B19R0.92 C=CCCCCCCCCCNC(=O)CCCC(C)C 11a_100000081888_100011216857 [0,1,0,0,0,0|1,0,2]=4 715 B19R0.92 C=CCCCCCCCCCNC(=O)CCCC(C)C 1626a_100000081888_100011216857 [0,1,0,0,0,0|1,0,2]=4 716 B19R0.92 C=CCCCCCCCCCNC(=O)CCCC(C)C 240690a_100000081888_100011216857 [0,1,0,0,0,0|1,0,2]=4 717 B19R0.92 C=CCCCCCCCCCNC(=O)CCCC(C)C 527a_100000081888_100011216857 [0,1,0,0,0,0|1,0,2]=4 718 B19R0.92 C=CCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000081888_100000210545 [0,1,0,0,0,0|1,0,2]=4 719 B19R0.92 C=CCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000081888 [0,1,0,0,0,0|1,0,2]=4 720 B19R0.92 C=CCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000081888_100000210545 [0,1,0,0,0,0|1,0,2]=4 721 B19R0.92 C=CCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000081888 [0,1,0,0,0,0|1,0,2]=4 722 B19R0.92 C=CCCCCCCCCCNC(=O)NCCC(C)C 512a_100000081888_100000210545 [0,1,0,0,0,0|1,0,2]=4 723 B19R0.92 C=CCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000081888 [0,1,0,0,0,0|1,0,2]=4 724 B19R0.92 CC(C)/C=C/CC(=O)CCCCCCCCCCCO 1458a_100016292215_100009812471 [0,1,0,0,0,0|1,0,2]=4 725 B19R0.92 CC(C)CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100011216857 [0,1,0,0,0,0|2,0,0]=3 726 B19R0.92 CC(C)CCNC(=O)CCCCCCCCCCCO 240690a_100000210545_100000037981 [0,1,0,0,0,0|1,0,0]=2 727 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000210545 [0,1,0,0,0,0|2,0,0]=3 728 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000210545_100000066964 [0,1,0,0,0,0|2,0,0]=3 729 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000210545 [0,1,0,0,0,0|2,0,0]=3 730 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000210545_100000066964 [0,1,0,0,0,0|2,0,0]=3 731 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000210545 [0,1,0,0,0,0|2,0,0]=3 732 B19R0.92 CC(C)CCNC(=O)NCCCCCCCCCCO 512a_100000210545_100000066964 [0,1,0,0,0,0|2,0,0]=3 733 B19R0.92 CC(C)CNNC(=O)CCCCCCCCCCCO 22a_100000696102_100000037981 [0,1,0,0,0,0|2,0,0]=3 734 B19R0.92 CC(C)CNNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000696102 [0,1,0,0,0,0|3,0,0]=4 735 B19R0.92 CC(C)CNNC(=O)NCCCCCCCCCCO 512a_100000066964_100000696102 [0,1,0,0,0,0|3,0,0]=4 736 B19R0.92 CC(C)CNNC(=O)NCCCCCCCCCCO 512a_100000696102_100000066964 [0,1,0,0,0,0|3,0,0]=4 737 B19R0.92 CC(C)COCC(=O)NCCCCCCCCCCO 240690a_100000066964_100011223364 [0,1,0,0,0,0|3,0,0]=4 738 B19R0.92 CC(O)CCNC(=O)CCCCCCCCCCCO 240690a_200000755665_100000037981 [0,1,0,0,0,0|2,0,0]=3 739 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_200000755665 [0,1,0,0,0,0|3,0,0]=4 740 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 273464a_200000755665_100000066964 [0,1,0,0,0,0|3,0,0]=4 741 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_200000755665 [0,1,0,0,0,0|3,0,0]=4 742 B19R0.92 CC(O)CCNC(=O)NCCCCCCCCCCO 512a_200000755665_100000066964 [0,1,0,0,0,0|3,0,0]=4 743 B19R0.92 CC(O)CNNC(=O)CCCCCCCCCCCO 22a_200000730056_100000037981 [0,1,0,0,0,0|3,0,0]=4 744 B19R0.92 CCCCC#CCCCCCCC(=O)CCCC(C)C 1458a_100011216857_200000043322 [0,1,0,0,0,0|1,0,1]=3 745 B19R0.92 CCCCC#CCCCCCCC(=O)COCC(C)C 1458a_100011223364_200000043322 [0,1,0,0,0,0|2,0,1]=4 746 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)C 11a_100000210545_100015291182 [0,1,0,0,0,0|1,0,1]=3 747 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)C 1626a_100000210545_100015291182 [0,1,0,0,0,0|1,0,1]=3 748 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)C 240690a_100000210545_100015291182 [0,1,0,0,0,0|1,0,1]=3 749 B19R0.92 CCCCCCCCCCC=CC(=O)NCCC(C)O 240690a_200000755665_100015291182 [0,1,0,0,0,0|2,0,1]=4 750 B19R0.92 CCCCCCCCCCC=CC(=O)NCCN(C)C 240690a_100000210585_100015291182 [0,1,0,0,0,0|2,0,1]=4 751 B19R0.92 CCCCCCCCCCC=CC(=O)NNCC(C)C 22a_100000696102_100015291182 [0,1,0,0,0,0|2,0,1]=4 752 B19R0.92 CCCCCCCCCCCCC(=O)C=CCN(C)C 1458a_100000754359_100000759014 [0,1,0,0,0,0|2,0,1]=4 753 B19R0.92 CCCCCCCCCCCCC(=O)NCC=C(C)C 11a_100000718196_100011215791 [0,1,0,0,0,0|1,0,2]=4 754 B19R0.92 CCCCCCCCCCCCC(=O)NCC=C(C)C 1626a_100000718196_100011215791 [0,1,0,0,0,0|1,0,2]=4 755 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100011215791 [0,1,0,0,0,0|1,0,0]=2 756 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100011215791 [0,1,0,0,0,0|1,0,0]=2 757 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100011215791 [0,1,0,0,0,0|1,0,0]=2 758 B19R0.92 CCCCCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100011215791 [0,1,0,0,0,0|2,0,0]=3 759 B19R0.92 CCCCCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100011215791 [0,1,0,0,0,0|2,0,0]=3 760 B19R0.92 CCCCCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100011215791 [0,1,0,0,0,0|2,0,0]=3 761 B19R0.92 CCCCCCCCCCCCC(=O)NNCC(C)O 22a_200000730056_100011215791 [0,1,0,0,0,0|3,0,0]=4 762 B19R0.92 CCCCCCCCCCCNC(=O)C/C=C/C(C)C 11a_200011215754_100016292215 [0,1,0,0,0,0|1,0,2]=4 763 B19R0.92 CCCCCCCCCCCNC(=O)C/C=C/C(C)C 1626a_200011215754_100016292215 [0,1,0,0,0,0|1,0,2]=4 764 B19R0.92 CCCCCCCCCCCNC(=O)C/C=C/C(C)C 240690a_200011215754_100016292215 [0,1,0,0,0,0|1,0,2]=4 765 B19R0.92 CCCCCCCCCCCNC(=O)C=CCN(C)C 240690a_200011215754_100000754359 [0,1,0,0,0,0|2,0,1]=4 766 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 11a_200011215754_100011216857 [0,1,0,0,0,0|1,0,0]=2 767 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 1626a_200011215754_100011216857 [0,1,0,0,0,0|1,0,0]=2 768 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 240690a_200011215754_100011216857 [0,1,0,0,0,0|1,0,0]=2 769 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)C 527a_200011215754_100011216857 [0,1,0,0,0,0|1,0,0]=2 770 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)O 1626a_200011215754_100000761597 [0,1,0,0,0,0|2,0,0]=3 771 B19R0.92 CCCCCCCCCCCNC(=O)CCCC(C)O 527a_200011215754_100000761597 [0,1,0,0,0,0|2,0,0]=3 772 B19R0.92 CCCCCCCCCCCNC(=O)CCCN(C)C 11a_200011215754_100000740757 [0,1,0,0,0,0|2,0,0]=3 773 B19R0.92 CCCCCCCCCCCNC(=O)CCCN(C)C 240690a_200011215754_100000740757 [0,1,0,0,0,0|2,0,0]=3 774 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 11a_200011215754_100011223364 [0,1,0,0,0,0|2,0,0]=3 775 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 1626a_200011215754_100011223364 [0,1,0,0,0,0|2,0,0]=3 776 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 240690a_200011215754_100011223364 [0,1,0,0,0,0|2,0,0]=3 777 B19R0.92 CCCCCCCCCCCNC(=O)COCC(C)C 527a_200011215754_100011223364 [0,1,0,0,0,0|2,0,0]=3 778 B19R0.92 CCCCCCCCCCCNC(=O)NCC=C(C)C 2708a_100000718196_200011215754 [0,1,0,0,0,0|1,0,2]=4 779 B19R0.92 CCCCCCCCCCCNC(=O)NCC=C(C)C 2708a_200011215754_100000718196 [0,1,0,0,0,0|1,0,2]=4 780 B19R0.92 CCCCCCCCCCCNC(=O)NCC=C(C)C 273464a_100000718196_200011215754 [0,1,0,0,0,0|1,0,2]=4 781 B19R0.92 CCCCCCCCCCCNC(=O)NCC=C(C)C 273464a_200011215754_100000718196 [0,1,0,0,0,0|1,0,2]=4 782 B19R0.92 CCCCCCCCCCCNC(=O)NCC=C(C)C 512a_100000718196_200011215754 [0,1,0,0,0,0|1,0,2]=4 783 B19R0.92 CCCCCCCCCCCNC(=O)NCC=C(C)C 512a_200011215754_100000718196 [0,1,0,0,0,0|1,0,2]=4 784 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_200011215754 [0,1,0,0,0,0|1,0,0]=2 785 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 2708a_200011215754_100000210545 [0,1,0,0,0,0|1,0,0]=2 786 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_200011215754 [0,1,0,0,0,0|1,0,0]=2 787 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 273464a_200011215754_100000210545 [0,1,0,0,0,0|1,0,0]=2 788 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_200011215754 [0,1,0,0,0,0|1,0,0]=2 789 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)C 512a_200011215754_100000210545 [0,1,0,0,0,0|1,0,0]=2 790 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 2708a_200011215754_200000755665 [0,1,0,0,0,0|2,0,0]=3 791 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_200011215754 [0,1,0,0,0,0|2,0,0]=3 792 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_200011215754 [0,1,0,0,0,0|2,0,0]=3 793 B19R0.92 CCCCCCCCCCCNC(=O)NCCC(C)O 512a_200011215754_200000755665 [0,1,0,0,0,0|2,0,0]=3 794 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 2708a_200011215754_100000210585 [0,1,0,0,0,0|2,0,0]=3 795 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210585_200011215754 [0,1,0,0,0,0|2,0,0]=3 796 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 273464a_200011215754_100000210585 [0,1,0,0,0,0|2,0,0]=3 797 B19R0.92 CCCCCCCCCCCNC(=O)NCCN(C)C 512a_200011215754_100000210585 [0,1,0,0,0,0|2,0,0]=3 798 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)C 273464a_200011215754_100000696102 [0,1,0,0,0,0|2,0,0]=3 799 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)C 512a_100000696102_200011215754 [0,1,0,0,0,0|2,0,0]=3 800 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)C 512a_200011215754_100000696102 [0,1,0,0,0,0|2,0,0]=3 801 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)O 512a_200000730056_200011215754 [0,1,0,0,0,0|3,0,0]=4 802 B19R0.92 CCCCCCCCCCCNC(=O)NNCC(C)O 512a_200011215754_200000730056 [0,1,0,0,0,0|3,0,0]=4 803 B19R0.92 CN(C)CC=CC(=O)CCCCCCCCCCCO 1458a_100000754359_100009812471 [0,1,0,0,0,0|2,0,1]=4 804 B19R0.92 CN(C)CCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000740757 [0,1,0,0,0,0|3,0,0]=4 805 B19R0.92 CN(C)CCNC(=O)CCCCCCCCCCCO 240690a_100000210585_100000037981 [0,1,0,0,0,0|2,0,0]=3 806 B19R0.92 CN(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000210585 [0,1,0,0,0,0|3,0,0]=4 807 B19R0.92 CN(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000210585 [0,1,0,0,0,0|3,0,0]=4 808 B19R0.92 CN(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000210585_100000066964 [0,1,0,0,0,0|3,0,0]=4 809 B19R0.92 CN(C)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000210585 [0,1,0,0,0,0|3,0,0]=4 810 B19R0.140 COC(=O)CCCCCCCCC(=O)CCCC(C)C 1458a_100000036616_100011214892 [0,1,0,0,0,0|2,0,1]=4 811 B19R0.140 COC(=O)CCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100010282707 [0,1,0,0,0,0|2,0,1]=4 812 B19R0.140 COC(=O)CCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000036616 [0,1,0,0,0,0|2,0,1]=4 813 B19R0.140 COC(=O)CCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000036616 [0,1,0,0,0,0|2,0,1]=4 814 B19R0.140 COC(=O)CCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000036616 [0,1,0,0,0,0|2,0,1]=4 815 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCC=C(C)C 1626a_100000718196_200012339438 [0,1,0,0,0,0|1,0,2]=4 816 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)C 1626a_100000210545_200012339438 [0,1,0,0,0,0|1,0,0]=2 817 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)C 240690a_100000210545_200012339438 [0,1,0,0,0,0|1,0,0]=2 818 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCC(C)O 240690a_200000755665_200012339438 [0,1,0,0,0,0|2,0,0]=3 819 B19R0.2990 CCCCCCCCCC(O)CC(=O)NCCN(C)C 240690a_100000210585_200012339438 [0,1,0,0,0,0|2,0,0]=3 820 B19R0.2990 CCCCCCCCCC(O)CC(=O)NNCC(C)C 22a_100000696102_200012339438 [0,1,0,0,0,0|2,0,0]=3 821 B19R0.2990 CCCCCCCCCC(O)CC(=O)NNCC(C)O 22a_200000730056_200012339438 [0,1,0,0,0,0|3,0,0]=4 822 B19R0.9202 C#CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000211873_100000091854 [0,1,0,0,0,0|1,0,2]=4 823 B19R0.9202 C#CC(C)NCOC(=O)CCCCCCCCCCC 2230a_100000707721_100020644155 [0,1,0,0,0,0|1,0,1]=3 824 B19R0.9202 C#CC(C)NCOC(=O)CCCCCCCCCCC 34a_100000707721_100020644155 [0,1,0,0,0,0|1,0,1]=3 825 B19R0.9202 C#CC(C)SCOC(=O)CCCCCCCCCCC 62a_200000035995_100020644155 [0,1,0,0,0,0|1,0,1]=3 826 B19R0.9202 C#C[C@@H](C)OCOC(=O)CCCCCCCCCCC 34a_100009815206_100020644155 [0,1,0,0,0,0|1,0,1]=3 827 B19R0.9202 C#C[C@@H](C)OCOC(=O)CCCCCCCCCCC 7a_100009815206_100020644155 [0,1,0,0,0,0|1,0,1]=3 828 B19R0.9202 C=CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000185746_100000091854 [0,1,0,0,0,0|1,0,2]=4 829 B19R0.9202 C=CC(C)OCOC(=O)CCCCCCCCCCC 34a_100000695699_100020644155 [0,1,0,0,0,0|1,0,1]=3 830 B19R0.9202 C=CC(C)SCOC(=O)CCCCCCCCCCC 62a_100011215867_100020644155 [0,1,0,0,0,0|1,0,1]=3 831 B19R0.9202 CC(CO)CCNC(=O)CCCCCCCCCCO 240690a_106354213184_200000016029 [0,1,0,0,0,0|2,0,0]=3 832 B19R0.9202 CC(CO)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_106354213184 [0,1,0,0,0,0|3,0,0]=4 833 B19R0.9202 CC(CO)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_106354213184 [0,1,0,0,0,0|3,0,0]=4 834 B19R0.9202 CC(CO)CCNC(=O)NCCCCCCCCCO 273464a_106354213184_100000078944 [0,1,0,0,0,0|3,0,0]=4 835 B19R0.9202 CC(CO)CCNC(=O)NCCCCCCCCCO 512a_100000078944_106354213184 [0,1,0,0,0,0|3,0,0]=4 836 B19R0.9202 CC(CO)CCNC(=O)NCCCCCCCCCO 512a_106354213184_100000078944 [0,1,0,0,0,0|3,0,0]=4 837 B19R0.9202 CCC(C)CCNC(=O)CCCCCCCCCCO 240690a_100020591266_200000016029 [0,1,0,0,0,0|2,0,0]=3 838 B19R0.9202 CCC(C)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100020591266 [0,1,0,0,0,0|3,0,0]=4 839 B19R0.9202 CCC(C)CCNC(=O)NCCCCCCCCCO 2708a_100020591266_100000078944 [0,1,0,0,0,0|3,0,0]=4 840 B19R0.9202 CCC(C)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100020591266 [0,1,0,0,0,0|3,0,0]=4 841 B19R0.9202 CCC(C)CCNC(=O)NCCCCCCCCCO 273464a_100020591266_100000078944 [0,1,0,0,0,0|3,0,0]=4 842 B19R0.9202 CCC(C)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100020591266 [0,1,0,0,0,0|3,0,0]=4 843 B19R0.9202 CCC(C)CCNC(=O)NCCCCCCCCCO 512a_100020591266_100000078944 [0,1,0,0,0,0|3,0,0]=4 844 B19R0.9202 CCCCCCCCCC=CC(=O)NCCC(C)CC 11a_100020591266_200015352897 [0,1,0,0,0,0|1,0,2]=4 845 B19R0.9202 CCCCCCCCCC=CC(=O)NCCC(C)CC 1626a_100020591266_200015352897 [0,1,0,0,0,0|1,0,2]=4 846 B19R0.9202 CCCCCCCCCC=CC(=O)NCCC(C)CC 240690a_100020591266_200015352897 [0,1,0,0,0,0|1,0,2]=4 847 B19R0.9202 CCCCCCCCCC=CC(=O)NCCC(C)CO 240690a_106354213184_200015352897 [0,1,0,0,0,0|1,0,2]=4 848 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)NC 1458a_100000210736_100000741757 [0,1,0,0,0,0|2,0,1]=4 849 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000210736_100011218270 [0,1,0,0,0,0|2,0,1]=4 850 B19R0.9202 CCCCCCCCCCCC(=O)CCCC(=O)OC 1458a_100000239890_100011215454 [0,1,0,0,0,0|2,0,1]=4 851 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)NC 11a_100000738227_100000210736 [0,1,0,0,0,0|2,0,1]=4 852 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)NC 240690a_100000738227_100000210736 [0,1,0,0,0,0|2,0,1]=4 853 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(=O)OC 188690a_100000683876_100000210736 [0,1,0,0,0,0|2,0,1]=4 854 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 11a_100020591266_100000210736 [0,1,0,0,0,0|1,0,0]=2 855 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210736 [0,1,0,0,0,0|1,0,0]=2 856 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210736 [0,1,0,0,0,0|1,0,0]=2 857 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210736 [0,1,0,0,0,0|1,0,0]=2 858 B19R0.9202 CCCCCCCCCCCC(=O)NN=CC(C)CC 4a_200011219152_100000243153 [0,1,0,0,0,0|2,0,1]=4 859 B19R0.9202 CCCCCCCCCCCC(=O)NNCC(C)C#N 22a_100000045663_100000210736 [0,1,0,0,0,0|2,0,1]=4 860 B19R0.9202 CCCCCCCCCCCC(=O)NNCC(O)CC 22a_100015206393_100000210736 [0,1,0,0,0,0|3,0,0]=4 861 B19R0.9202 CCCCCCCCCCCC(=O)OCCC(=O)CC 1458a_100000210414_100000091854 [0,1,0,0,0,0|1,0,1]=3 862 B19R0.9202 CCCCCCCCCCCC(=O)OCCC(=O)CO 1458a_100000210174_100000091854 [0,1,0,0,0,0|1,0,1]=3 863 B19R0.9202 CCCCCCCCCCCC(=O)OCCN(C)CC 2230a_100000225621_100000091854 [0,1,0,0,0,0|1,0,0]=2 864 B19R0.9202 CCCCCCCCCCCC(=O)OCCN(C)CC 269982a_100000225621_100000091854 [0,1,0,0,0,0|1,0,0]=2 865 B19R0.9202 CCCCCCCCCCCC(=O)OCNC(C)C#N 2230a_100000737613_100020644155 [0,1,0,0,0,0|1,0,1]=3 866 B19R0.9202 CCCCCCCCCCCC(=O)OCNC(C)CC 2230a_100000209981_100020644155 [0,1,0,0,0,0|1,0,0]=2 867 B19R0.9202 CCCCCCCCCCCC(=O)OCN[C@H](C)CO 2230a_100000737577_100020644155 [0,1,0,0,0,0|1,0,0]=2 868 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)C#N 34a_100011218135_100020644155 [0,1,0,0,0,0|1,0,1]=3 869 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CC 7a_100000210228_100020644155 [0,1,0,0,0,0|1,0,0]=2 870 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CF 34a_100016041109_100020644155 [0,1,0,0,0,0|1,0,0]=2 871 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CF 7a_100016041109_100020644155 [0,1,0,0,0,0|1,0,0]=2 872 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CN 34a_100000210904_100020644155 [0,1,0,0,0,0|1,0,0]=2 873 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)C#N 62a_100000703298_100020644155 [0,1,0,0,0,0|1,0,1]=3 874 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)CC 62a_100000758301_100020644155 [0,1,0,0,0,0|1,0,0]=2 875 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)CO 62a_100012180447_100020644155 [0,1,0,0,0,0|1,0,0]=2 876 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)OC 62a_100009879195_100020644155 [0,1,0,0,0,0|1,0,0]=2 877 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(F)C#N 62a_200000117898_100020644155 [0,1,0,0,0,0|2,0,1]=4 878 B19R0.9202 CCCCCCCCCCCC(=O)OCS[C@H](C)CO 62a_100016084084_100020644155 [0,1,0,0,0,0|1,0,0]=2 879 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 2708a_100000684558_100020591266 [0,1,0,0,0,0|2,0,0]=3 880 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 2708a_100020591266_100000684558 [0,1,0,0,0,0|2,0,0]=3 881 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 273464a_100000684558_100020591266 [0,1,0,0,0,0|2,0,0]=3 882 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 273464a_100020591266_100000684558 [0,1,0,0,0,0|2,0,0]=3 883 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 512a_100000684558_100020591266 [0,1,0,0,0,0|2,0,0]=3 884 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CC 512a_100020591266_100000684558 [0,1,0,0,0,0|2,0,0]=3 885 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 2708a_100000684558_106354213184 [0,1,0,0,0,0|2,0,0]=3 886 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 273464a_100000684558_106354213184 [0,1,0,0,0,0|2,0,0]=3 887 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 273464a_106354213184_100000684558 [0,1,0,0,0,0|2,0,0]=3 888 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 512a_100000684558_106354213184 [0,1,0,0,0,0|2,0,0]=3 889 B19R0.9202 CCCCCCCCCCNC(=O)NCCC(C)CO 512a_106354213184_100000684558 [0,1,0,0,0,0|2,0,0]=3 890 B19R0.9202 CCCCCCCCCCOC(=O)CNCC(C)CC 2230a_100020588543_100000210668 [0,1,0,0,0,0|3,0,0]=4 891 B19R0.9202 CCCCCCCCCCOC(=O)CNCC(C)CO 34a_100000744482_100000210668 [0,1,0,0,0,0|3,0,0]=4 892 B19R0.9202 CCCCCCCCCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000210668 [0,1,0,0,0,0|3,0,0]=4 893 B19R0.9202 CCCCCCCCCCOC(=O)COCC(C)CN 34a_100000744482_100000210668 [0,1,0,0,0,0|3,0,0]=4 894 B19R0.9202 CCCCCCCCCCOC(=O)COCC(C)OC 34a_100000690652_100000210668 [0,1,0,0,0,0|3,0,0]=4 895 B19R0.9202 CCCCCCCCCCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000210668 [0,1,0,0,0,0|3,0,0]=4 896 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(C)CC 62a_100000680656_100000748023 [0,1,0,0,0,0|3,0,0]=4 897 B19R0.9202 CCCCCCCCCCOC(=O)CSCC(C)CC 62a_100000748023_100000680656 [0,1,0,0,0,0|3,0,0]=4 898 B19R0.9202 CCCCCCCCCCOC(=O)CSC[C@@H](C)CC 62a_100000680656_100009816398 [0,1,0,0,0,0|3,0,0]=4 899 B19R0.9202 CCCCCCCCCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000680656 [0,1,0,0,0,0|3,0,0]=4 900 B19R0.9202 CCCCCCCCCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000680656 [0,1,0,0,0,0|3,0,0]=4 901 B19R0.9202 CCCCCCCCCCOC(=O)CSC[C@@H](C)CO 62a_100000680656_100000059175 [0,1,0,0,0,0|3,0,0]=4 902 B19R0.9211 CC(C)(C)CCNC(=O)CCCCCCCCCCO 240690a_100000738805_200000016029 [0,1,0,0,0,0|2,0,0]=3 903 B19R0.9211 CC(C)(C)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000738805 [0,1,0,0,0,0|3,0,0]=4 904 B19R0.9211 CC(C)(C)CCNC(=O)NCCCCCCCCCO 2708a_100000738805_100000078944 [0,1,0,0,0,0|3,0,0]=4 905 B19R0.9211 CC(C)(C)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000738805 [0,1,0,0,0,0|3,0,0]=4 906 B19R0.9211 CC(C)(C)CCNC(=O)NCCCCCCCCCO 273464a_100000738805_100000078944 [0,1,0,0,0,0|3,0,0]=4 907 B19R0.9211 CC(C)(C)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000738805 [0,1,0,0,0,0|3,0,0]=4 908 B19R0.9211 CC(C)(C)CCNC(=O)NCCCCCCCCCO 512a_100000738805_100000078944 [0,1,0,0,0,0|3,0,0]=4 909 B19R0.9211 CC(C)(F)CCNC(=O)CCCCCCCCCCO 240690a_100016253952_200000016029 [0,1,0,0,0,0|2,0,0]=3 910 B19R0.9211 CC(C)(F)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100016253952 [0,1,0,0,0,0|3,0,0]=4 911 B19R0.9211 CC(C)(F)CCNC(=O)NCCCCCCCCCO 2708a_100016253952_100000078944 [0,1,0,0,0,0|3,0,0]=4 912 B19R0.9211 CC(C)(F)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100016253952 [0,1,0,0,0,0|3,0,0]=4 913 B19R0.9211 CC(C)(F)CCNC(=O)NCCCCCCCCCO 273464a_100016253952_100000078944 [0,1,0,0,0,0|3,0,0]=4 914 B19R0.9211 CC(C)(F)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100016253952 [0,1,0,0,0,0|3,0,0]=4 915 B19R0.9211 CC(C)(F)CCNC(=O)NCCCCCCCCCO 512a_100016253952_100000078944 [0,1,0,0,0,0|3,0,0]=4 916 B19R0.9211 CC(C)(O)CCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000707701 [0,1,0,0,0,0|3,0,0]=4 917 B19R0.9211 CC(C)(O)CCNC(=O)NCCCCCCCCCO 2708a_100000707701_100000078944 [0,1,0,0,0,0|3,0,0]=4 918 B19R0.9211 CC(C)(O)CCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000707701 [0,1,0,0,0,0|3,0,0]=4 919 B19R0.9211 CC(C)(O)CCNC(=O)NCCCCCCCCCO 273464a_100000707701_100000078944 [0,1,0,0,0,0|3,0,0]=4 920 B19R0.9211 CC(C)(O)CCNC(=O)NCCCCCCCCCO 512a_100000078944_100000707701 [0,1,0,0,0,0|3,0,0]=4 921 B19R0.9211 CC(C)(O)CCNC(=O)NCCCCCCCCCO 512a_100000707701_100000078944 [0,1,0,0,0,0|3,0,0]=4 922 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)C 11a_100000738805_200015352897 [0,1,0,0,0,0|1,0,2]=4 923 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)C 1626a_100000738805_200015352897 [0,1,0,0,0,0|1,0,2]=4 924 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)C 240690a_100000738805_200015352897 [0,1,0,0,0,0|1,0,2]=4 925 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)F 11a_100016253952_200015352897 [0,1,0,0,0,0|1,0,2]=4 926 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)F 1626a_100016253952_200015352897 [0,1,0,0,0,0|1,0,2]=4 927 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)F 240690a_100016253952_200015352897 [0,1,0,0,0,0|1,0,2]=4 928 B19R0.9211 CCCCCCCCCC=CC(=O)NCCC(C)(C)O 1626a_100000707701_200015352897 [0,1,0,0,0,0|1,0,2]=4 929 B19R0.9211 CCCCCCCCCCCC(=O)CCCS(=O)(=O)C 1458a_100000210736_100000754308 [0,1,0,0,0,0|3,0,0]=4 930 B19R0.9211 CCCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100011215454 [0,1,0,0,0,0|2,0,0]=3 931 B19R0.9211 CCCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000210736_100016990835 [0,1,0,0,0,0|2,0,0]=3 932 B19R0.9211 CCCCCCCCCCCC(=O)CCO[Si](C)(C)C 1458a_100000210736_200000032530 [0,1,0,0,0,0|2,1,0]=4 933 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000210736 [0,1,0,0,0,0|1,0,0]=2 934 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210736 [0,1,0,0,0,0|1,0,0]=2 935 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210736 [0,1,0,0,0,0|1,0,0]=2 936 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000210736 [0,1,0,0,0,0|1,0,0]=2 937 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210736 [0,1,0,0,0,0|1,0,0]=2 938 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210736 [0,1,0,0,0,0|1,0,0]=2 939 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210736 [0,1,0,0,0,0|1,0,0]=2 940 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F 11a_100000740434_100000210736 [0,1,0,0,0,0|3,0,0]=4 941 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F 1626a_100000740434_100000210736 [0,1,0,0,0,0|3,0,0]=4 942 B19R0.9211 CCCCCCCCCCCC(=O)NCCC(F)(F)F 240690a_100000740434_100000210736 [0,1,0,0,0,0|3,0,0]=4 943 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 11a_100000740961_100000210736 [0,1,0,0,0,0|3,0,0]=4 944 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 1626a_100000740961_100000210736 [0,1,0,0,0,0|3,0,0]=4 945 B19R0.9211 CCCCCCCCCCCC(=O)NCCS(=O)(=O)C 240690a_100000740961_100000210736 [0,1,0,0,0,0|3,0,0]=4 946 B19R0.9211 CCCCCCCCCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210736 [0,1,0,0,0,0|2,0,0]=3 947 B19R0.9211 CCCCCCCCCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210736 [0,1,0,0,0,0|2,0,0]=3 948 B19R0.9211 CCCCCCCCCCCC(=O)OCNC(C)(C)C 2230a_100000715429_100020644155 [0,1,0,0,0,0|1,0,0]=2 949 B19R0.9211 CCCCCCCCCCCC(=O)OCOC(C)(C)C 34a_100015890283_100020644155 [0,1,0,0,0,0|1,0,0]=2 950 B19R0.9211 CCCCCCCCCCCC(=O)OCOC(C)(C)C 7a_100015890283_100020644155 [0,1,0,0,0,0|1,0,0]=2 951 B19R0.9211 CCCCCCCCCCCC(=O)OCSC(C)(C)C 62a_100000211941_100020644155 [0,1,0,0,0,0|1,0,0]=2 952 B19R0.9211 CCCCCCCCCCCC(=O)OCSC(F)(F)F 62a_200000243211_100020644155 [0,1,0,0,0,0|3,0,0]=4 953 B19R0.9211 CCCCCCCCCCCC(C)NCCC(C)(C)O 270004a_100000707701_100011216755 [0,1,0,0,0,0|2,0,1]=4 954 B19R0.9211 CCCCCCCCCCCC(C)OCCC(C)(C)O 34a_100011217895_100000702414 [0,1,0,0,0,0|1,0,1]=3 955 B19R0.9211 CCCCCCCCCCCC(C)OCCC(C)(C)O 7a_100011217895_100000702414 [0,1,0,0,0,0|1,0,1]=3 956 B19R0.9211 CCCCCCCCCCCC(C)OCC[N+](C)(C)C 34a_100011217895_100000085578 [0,1,0,0,0,0|2,0,1]=4 957 B19R0.9211 CCCCCCCCCCCC(C)OCC[N+](C)(C)C 7a_100011217895_100000085578 [0,1,0,0,0,0|2,0,1]=4 958 B19R0.9211 CCCCCCCCCCNC(=O)CCC[N+](C)(C)C 11a_100000684558_100000085584 [0,1,0,0,0,0|3,0,0]=4 959 B19R0.9211 CCCCCCCCCCNC(=O)CCC[N+](C)(C)C 1626a_100000684558_100000085584 [0,1,0,0,0,0|3,0,0]=4 960 B19R0.9211 CCCCCCCCCCNC(=O)CCC[N+](C)(C)C 240690a_100000684558_100000085584 [0,1,0,0,0,0|3,0,0]=4 961 B19R0.9211 CCCCCCCCCCNC(=O)CCC[N+](C)(C)C 527a_100000684558_100000085584 [0,1,0,0,0,0|3,0,0]=4 962 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000684558_100000738805 [0,1,0,0,0,0|2,0,0]=3 963 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100000684558 [0,1,0,0,0,0|2,0,0]=3 964 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000684558_100000738805 [0,1,0,0,0,0|2,0,0]=3 965 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100000684558 [0,1,0,0,0,0|2,0,0]=3 966 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000684558_100000738805 [0,1,0,0,0,0|2,0,0]=3 967 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000738805_100000684558 [0,1,0,0,0,0|2,0,0]=3 968 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100000684558_100016253952 [0,1,0,0,0,0|2,0,0]=3 969 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100000684558 [0,1,0,0,0,0|2,0,0]=3 970 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100000684558_100016253952 [0,1,0,0,0,0|2,0,0]=3 971 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100000684558 [0,1,0,0,0,0|2,0,0]=3 972 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100000684558_100016253952 [0,1,0,0,0,0|2,0,0]=3 973 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100016253952_100000684558 [0,1,0,0,0,0|2,0,0]=3 974 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000684558_100000707701 [0,1,0,0,0,0|2,0,0]=3 975 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100000684558 [0,1,0,0,0,0|2,0,0]=3 976 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000684558_100000707701 [0,1,0,0,0,0|2,0,0]=3 977 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100000684558 [0,1,0,0,0,0|2,0,0]=3 978 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000684558_100000707701 [0,1,0,0,0,0|2,0,0]=3 979 B19R0.9211 CCCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000707701_100000684558 [0,1,0,0,0,0|2,0,0]=3 980 B19R0.9211 CCCCCCCCCCNC(=O)NCC[N+](C)(C)C 2708a_100000684558_100000106457 [0,1,0,0,0,0|3,0,0]=4 981 B19R0.9211 CCCCCCCCCCNC(=O)NCC[N+](C)(C)C 273464a_100000106457_100000684558 [0,1,0,0,0,0|3,0,0]=4 982 B19R0.9211 CCCCCCCCCCNC(=O)NCC[N+](C)(C)C 273464a_100000684558_100000106457 [0,1,0,0,0,0|3,0,0]=4 983 B19R0.9211 CCCCCCCCCCNC(=O)NCC[N+](C)(C)C 512a_100000106457_100000684558 [0,1,0,0,0,0|3,0,0]=4 984 B19R0.9211 CCCCCCCCCCNC(=O)NCC[N+](C)(C)C 512a_100000684558_100000106457 [0,1,0,0,0,0|3,0,0]=4 985 B19R0.9211 CCCCCCCCCCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000210668 [0,1,0,0,0,0|3,0,0]=4 986 B19R0.9211 CCCCCCCCCCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000210668 [0,1,0,0,0,0|3,0,0]=4 987 B19R0.9211 CCCCCCCCCCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000210668 [0,1,0,0,0,0|3,0,0]=4 988 B19R0.9211 CCCCCCCCCCOC(=O)COCC(C)(C)F 34a_100000716592_100000210668 [0,1,0,0,0,0|3,0,0]=4 989 B19R0.9211 CCCCCCCCCCOC(=O)CSCC(C)(C)C 62a_100000680656_100011219605 [0,1,0,0,0,0|3,0,0]=4 990 B19R0.9211 CCCCCCCCCCOC(=O)CSCC(C)(C)C 62a_100011219605_100000680656 [0,1,0,0,0,0|3,0,0]=4 991 B19R0.9211 CCCCCCCCCCOC(=O)CSCC(C)(C)F 62a_100000680656_100011997219 [0,1,0,0,0,0|3,0,0]=4 992 B19R0.9211 CCCCCCCCCCOC(=O)CSCC(C)(C)F 62a_100011997219_100000680656 [0,1,0,0,0,0|3,0,0]=4 993 B19R0.9211 CCCCCCCCCCOC(=O)CSCC(C)(C)O 62a_100000680656_100000764493 [0,1,0,0,0,0|3,0,0]=4 994 B19R0.9211 CCCCCCCCCCOC(=O)CSCC(C)(C)O 62a_100000764493_100000680656 [0,1,0,0,0,0|3,0,0]=4 995 B19R0.9211 C[N+](C)(C)CCCC(=O)CCCCCCCCCCO 1458a_100000085584_100009813290 [0,1,0,0,0,0|3,0,0]=4 996 B19R0.9211 C[N+](C)(C)CCNC(=O)CCCCCCCCCCO 240690a_100000106457_200000016029 [0,1,0,0,0,0|3,0,0]=4 997 B19R0.14111 CC(C)CCN(C)C(=O)CCCCCCCCCCO 240690a_100000742789_200000016029 [0,1,0,0,0,0|2,0,0]=3 998 B19R0.14111 CC(C)CCN(C)C(=O)NCCCCCCCCCO 2708a_100000078944_100000742789 [0,1,0,0,0,0|3,0,0]=4 999 B19R0.14111 CC(C)CCN(C)C(=O)NCCCCCCCCCO 273464a_100000078944_100000742789 [0,1,0,0,0,0|3,0,0]=4 1000 B19R0.14111 CC(C)CNC(=O)C(=O)CCCCCCCCCCO 1458a_200011297155_100009813290 [0,1,0,0,0,0|3,0,0]=4 1001 B19R0.14111 CCCCCCCCCC=CC(=O)N(C)CCC(C)C 11a_100000742789_200015352897 [0,1,0,0,0,0|1,0,2]=4 1002 B19R0.14111 CCCCCCCCCC=CC(=O)N(C)CCC(C)C 1626a_100000742789_200015352897 [0,1,0,0,0,0|1,0,2]=4 1003 B19R0.14111 CCCCCCCCCC=CC(=O)N(C)CCC(C)C 240690a_100000742789_200015352897 [0,1,0,0,0,0|1,0,2]=4 1004 B19R0.14111 CCCCCCCCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100011215454 [0,1,0,0,0,0|2,0,0]=3 1005 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000210736 [0,1,0,0,0,0|1,0,0]=2 1006 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210736 [0,1,0,0,0,0|1,0,0]=2 1007 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210736 [0,1,0,0,0,0|1,0,0]=2 1008 B19R0.14111 CCCCCCCCCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210736 [0,1,0,0,0,0|2,0,0]=3 1009 B19R0.14111 CCCCCCCCCCNC(=O)C(=O)NCC(C)C 1626a_100000684558_200011297155 [0,1,0,0,0,0|3,0,0]=4 1010 B19R0.14111 CCCCCCCCCCNC(=O)C(=O)NCC(C)C 240690a_100000684558_200011297155 [0,1,0,0,0,0|3,0,0]=4 1011 B19R0.14111 CCCCCCCCCCNC(=O)C(=O)NCC(C)C 527a_100000684558_200011297155 [0,1,0,0,0,0|3,0,0]=4 1012 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCC(C)C 2708a_100000684558_100000742789 [0,1,0,0,0,0|2,0,0]=3 1013 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCC(C)C 273464a_100000684558_100000742789 [0,1,0,0,0,0|2,0,0]=3 1014 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCN(C)C 2708a_100000684558_100000225618 [0,1,0,0,0,0|3,0,0]=4 1015 B19R0.14111 CCCCCCCCCCNC(=O)N(C)CCN(C)C 273464a_100000684558_100000225618 [0,1,0,0,0,0|3,0,0]=4 1016 B19R0.14111 CN(C)CCN(C)C(=O)CCCCCCCCCCO 240690a_100000225618_200000016029 [0,1,0,0,0,0|3,0,0]=4 1017 B19R0.25649 C=C(C)C(=O)COC(=O)CCCCCCCCCCC 1458a_100000185857_100020644155 [0,1,0,0,0,0|0,0,3]=4 1018 B19R0.25649 CC(C)C(O)CNC(=O)CCCCCCCCCCO 240690a_100000759067_200000016029 [0,1,0,0,0,0|2,0,0]=3 1019 B19R0.25649 CC(C)C(O)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100000759067 [0,1,0,0,0,0|3,0,0]=4 1020 B19R0.25649 CC(C)C(O)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100000759067 [0,1,0,0,0,0|3,0,0]=4 1021 B19R0.25649 CC(C)C(O)CNC(=O)NCCCCCCCCCO 273464a_100000759067_100000078944 [0,1,0,0,0,0|3,0,0]=4 1022 B19R0.25649 CC(C)C(O)CNC(=O)NCCCCCCCCCO 512a_100000078944_100000759067 [0,1,0,0,0,0|3,0,0]=4 1023 B19R0.25649 CC(C)C(O)CNC(=O)NCCCCCCCCCO 512a_100000759067_100000078944 [0,1,0,0,0,0|3,0,0]=4 1024 B19R0.25649 CC(C)N(C)CCC(=O)CCCCCCCCCCO 1458a_100015184040_100009813290 [0,1,0,0,0,0|3,0,0]=4 1025 B19R0.25649 CCCCCCCCCC=CC(=O)NCC(O)C(C)C 11a_100000759067_200015352897 [0,1,0,0,0,0|1,0,2]=4 1026 B19R0.25649 CCCCCCCCCC=CC(=O)NCC(O)C(C)C 240690a_100000759067_200015352897 [0,1,0,0,0,0|1,0,2]=4 1027 B19R0.25649 CCCCCCCCCCCC(=O)CCC(=O)N(C)C 1458a_100011200748_100011215454 [0,1,0,0,0,0|2,0,1]=4 1028 B19R0.25649 CCCCCCCCCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100011215454 [0,1,0,0,0,0|2,0,0]=3 1029 B19R0.25649 CCCCCCCCCCCC(=O)CNC(=O)C(C)C 1458a_100000194582_100011215454 [0,1,0,0,0,0|2,0,1]=4 1030 B19R0.25649 CCCCCCCCCCCC(=O)COC(=O)C(C)C 1458a_100000210736_100000139345 [0,1,0,0,0,0|2,0,1]=4 1031 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)C(C)C 1458a_100001278556_100000210206 [0,1,0,0,0,0|1,0,1]=3 1032 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)N(C)C 11a_100015183351_100000210736 [0,1,0,0,0,0|2,0,1]=4 1033 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)N(C)C 11a_100102631434_100001278556 [0,1,0,0,0,0|2,0,1]=4 1034 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)N(C)C 1626a_100102631434_100001278556 [0,1,0,0,0,0|2,0,1]=4 1035 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)N(C)C 240690a_100015183351_100000210736 [0,1,0,0,0,0|2,0,1]=4 1036 B19R0.25649 CCCCCCCCCCCC(=O)NCC(=O)N(C)C 240690a_100102631434_100001278556 [0,1,0,0,0,0|2,0,1]=4 1037 B19R0.25649 CCCCCCCCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210736 [0,1,0,0,0,0|1,0,0]=2 1038 B19R0.25649 CCCCCCCCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210736 [0,1,0,0,0,0|1,0,0]=2 1039 B19R0.25649 CCCCCCCCCCCC(=O)NN=C(C)C(C)C 4a_200011219152_100000211110 [0,1,0,0,0,0|2,0,1]=4 1040 B19R0.25649 CCCCCCCCCCCC(=O)NNC(=O)C(C)C 22a_100000184118_100000210736 [0,1,0,0,0,0|2,0,1]=4 1041 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(C)C 1458a_100000210198_100020644155 [0,1,0,0,0,0|0,0,1]=2 1042 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(C)F 1458a_100000062450_100020644155 [0,1,0,0,0,0|1,0,1]=3 1043 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)C(O)O 1458a_100000233687_100020644155 [0,1,0,0,0,0|2,0,1]=4 1044 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_100020644155 [0,1,0,0,0,0|1,0,1]=3 1045 B19R0.25649 CCCCCCCCCCCC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_100020644155 [0,1,0,0,0,0|1,0,1]=3 1046 B19R0.25649 CCCCCCCCCCCC(=O)OCN(C)C(C)C 269982a_200000211004_100020644155 [0,1,0,0,0,0|1,0,0]=2 1047 B19R0.25649 CCCCCCCCCCCC(C)NCC(O)C(C)C 270004a_100000759067_100011216755 [0,1,0,0,0,0|2,0,1]=4 1048 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)C(C)C 34a_100011217895_100000753385 [0,1,0,0,0,0|1,0,2]=4 1049 B19R0.25649 CCCCCCCCCCCC(C)OCC(=O)C(C)C 7a_100011217895_100000753385 [0,1,0,0,0,0|1,0,2]=4 1050 B19R0.25649 CCCCCCCCCCNC(=O)CCN(C)C(C)C 1626a_100000684558_100015184040 [0,1,0,0,0,0|3,0,0]=4 1051 B19R0.25649 CCCCCCCCCCNC(=O)CCN(C)C(C)C 240690a_100000684558_100015184040 [0,1,0,0,0,0|3,0,0]=4 1052 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 2708a_100000684558_100000759067 [0,1,0,0,0,0|2,0,0]=3 1053 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000684558_100000759067 [0,1,0,0,0,0|2,0,0]=3 1054 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100000684558 [0,1,0,0,0,0|2,0,0]=3 1055 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000684558_100000759067 [0,1,0,0,0,0|2,0,0]=3 1056 B19R0.25649 CCCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000759067_100000684558 [0,1,0,0,0,0|2,0,0]=3 1057 B19R0.25649 CCCCCCCCCCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000210668 [0,1,0,0,0,0|3,0,0]=4 1058 B19R0.25649 CCCCCCCCCCOC(=O)COC(C)C(C)C 7a_100000748068_100000210668 [0,1,0,0,0,0|3,0,0]=4 1059 B19R0.25655 C#CCCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100153394163 [0,1,0,0,0,0|1,0,2]=4 1060 B19R0.25655 C#CCCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100153394163 [0,1,0,0,0,0|1,0,2]=4 1061 B19R0.25655 C=CCCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100012355270 [0,1,0,0,0,0|1,0,2]=4 1062 B19R0.25655 C=CCCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100012355270 [0,1,0,0,0,0|1,0,2]=4 1063 B19R0.25655 CC(C)CCNC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000735922 [0,1,0,0,0,0|3,0,0]=4 1064 B19R0.25655 CC(C)CCNC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000735922 [0,1,0,0,0,0|3,0,0]=4 1065 B19R0.25655 CC(C)CCNC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000735922 [0,1,0,0,0,0|3,0,0]=4 1066 B19R0.25655 CC(C)CCNC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000735922 [0,1,0,0,0,0|3,0,0]=4 1067 B19R0.25655 CC(C)CCNC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000735922 [0,1,0,0,0,0|3,0,0]=4 1068 B19R0.25655 CC(C)CCNC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000735922 [0,1,0,0,0,0|3,0,0]=4 1069 B19R0.25655 CC(C)CCNC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000735922 [0,1,0,0,0,0|3,0,0]=4 1070 B19R0.25655 CC(C)CCNC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000735922 [0,1,0,0,0,0|3,0,0]=4 1071 B19R0.25655 CC(C)CCNC(=O)C(C)SCCCCCCCCO 62a_100000735922_100000033203 [0,1,0,0,0,0|3,0,0]=4 1072 B19R0.25655 CC(C)CCOC(=O)C(C)OCCCCCCCCO 34a_200000034679_100000033203 [0,1,0,0,0,0|2,0,0]=3 1073 B19R0.25655 CC(C)CCOC(=O)C(C)OCCCCCCCCO 7a_200000034679_100000033203 [0,1,0,0,0,0|2,0,0]=3 1074 B19R0.25655 CCCCC#CCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_200000047210 [0,1,0,0,0,0|1,0,2]=4 1075 B19R0.25655 CCCCC#CCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_200000047210 [0,1,0,0,0,0|1,0,2]=4 1076 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 11a_100000207566_100011216857 [0,1,0,0,0,0|2,0,0]=3 1077 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 1626a_100000207566_100011216857 [0,1,0,0,0,0|2,0,0]=3 1078 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 240690a_100000207566_100011216857 [0,1,0,0,0,0|2,0,0]=3 1079 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)C 527a_100000207566_100011216857 [0,1,0,0,0,0|2,0,0]=3 1080 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)O 1626a_100000207566_100000761597 [0,1,0,0,0,0|3,0,0]=4 1081 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCC(C)O 527a_100000207566_100000761597 [0,1,0,0,0,0|3,0,0]=4 1082 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCN(C)C 11a_100000207566_100000740757 [0,1,0,0,0,0|3,0,0]=4 1083 B19R0.25655 CCCCCCCCCCN(C)C(=O)CCCN(C)C 240690a_100000207566_100000740757 [0,1,0,0,0,0|3,0,0]=4 1084 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(C)C 11a_100000207566_100011223364 [0,1,0,0,0,0|3,0,0]=4 1085 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(C)C 1626a_100000207566_100011223364 [0,1,0,0,0,0|3,0,0]=4 1086 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(C)C 240690a_100000207566_100011223364 [0,1,0,0,0,0|3,0,0]=4 1087 B19R0.25655 CCCCCCCCCCN(C)C(=O)COCC(C)C 527a_100000207566_100011223364 [0,1,0,0,0,0|3,0,0]=4 1088 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000207566 [0,1,0,0,0,0|2,0,0]=3 1089 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000207566 [0,1,0,0,0,0|2,0,0]=3 1090 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000207566 [0,1,0,0,0,0|3,0,0]=4 1091 B19R0.25655 CCCCCCCCCCN(C)C(=O)NCCN(C)C 273464a_100000210585_100000207566 [0,1,0,0,0,0|3,0,0]=4 1092 B19R0.25655 CCCCCCCCCNC(C)C(=O)NCCC(C)C 2230a_100000212291_100000735922 [0,1,0,0,0,0|2,0,0]=3 1093 B19R0.25655 CCCCCCCCCNC(C)C(=O)NCCC(C)C 34a_100000212291_100000735922 [0,1,0,0,0,0|2,0,0]=3 1094 B19R0.25655 CCCCCCCCCOC(C)C(=O)NCCC(C)C 34a_100000210712_100000735922 [0,1,0,0,0,0|2,0,0]=3 1095 B19R0.25655 CCCCCCCCCOC(C)C(=O)NCCC(C)C 7a_100000210712_100000735922 [0,1,0,0,0,0|2,0,0]=3 1096 B19R0.25655 CCCCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100011214924 [0,1,0,0,0,0|1,0,0]=2 1097 B19R0.25655 CCCCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210328 [0,1,0,0,0,0|1,0,0]=2 1098 B19R0.25655 CCCCCCCCCSC(C)C(=O)NCCC(C)C 62a_100000735922_100000210670 [0,1,0,0,0,0|2,0,0]=3 1099 B19R0.25655 CCCCCCOCCOC(C)C(=O)NCCC(C)C 34a_100000691444_100000735922 [0,1,0,0,0,0|3,0,0]=4 1100 B19R0.25655 CCCCCCOCCOC(C)C(=O)NCCC(C)C 7a_100000691444_100000735922 [0,1,0,0,0,0|3,0,0]=4 1101 B19R0.25655 CCCCNCCCCOC(C)C(=O)NCCC(C)C 34a_200011216965_100000735922 [0,1,0,0,0,0|3,0,0]=4 1102 B19R0.25655 CCCCOCCCCOC(C)C(=O)NCCC(C)C 34a_200000760531_100000735922 [0,1,0,0,0,0|3,0,0]=4 1103 B19R0.25655 CCCCOCCCCOC(C)C(=O)NCCC(C)C 7a_200000760531_100000735922 [0,1,0,0,0,0|3,0,0]=4 1104 B19R1.1007 CCCCCCCCCC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_200015352897 [0,0,0,1,0,0|1,0,2]=4 1105 B19R1.1007 CCCCCCCCCC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200015352897 [0,0,0,1,0,0|1,0,2]=4 1106 B19R1.1007 CCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100011215454 [0,0,0,1,0,0|2,0,0]=3 1107 B19R1.1007 CCCCCCCCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100011215454 [0,0,0,1,0,0|2,0,0]=3 1108 B19R1.1007 CCCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210736 [0,0,0,1,0,0|2,0,0]=3 1109 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210736 [0,0,0,1,0,0|2,0,0]=3 1110 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210736 [0,0,0,1,0,0|2,0,0]=3 1111 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210736 [0,0,0,1,0,0|2,0,0]=3 1112 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210736 [0,0,0,1,0,0|1,0,0]=2 1113 B19R1.1007 CCCCCCCCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210736 [0,0,0,1,0,0|1,0,0]=2 1114 B19R1.1007 CCCCCCCCCCCC(C)N1CC[C@H](C1)C 270004a_100016987628_100011216755 [0,0,0,1,0,0|2,0,1]=4 1115 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 1626a_100000684558_100000688591 [0,0,0,1,0,0|3,0,0]=4 1116 B19R1.1007 CCCCCCCCCCNC(=O)C1CCC(C1)O 240690a_100000684558_100000688591 [0,0,0,1,0,0|3,0,0]=4 1117 B19R1.1007 CCCCCCCCCCNC(=O)C1CCN(C1)C 240690a_100000684558_100000739633 [0,0,0,1,0,0|3,0,0]=4 1118 B19R1.1007 CCCCCCCCCCNC(=O)C1CCN(C1)C 527a_100000684558_100000739633 [0,0,0,1,0,0|3,0,0]=4 1119 B19R1.1007 CCCCCCCCCCNC(=O)N1CCC(C1)O 2708a_100000684558_100011215560 [0,0,0,1,0,0|3,0,0]=4 1120 B19R1.1007 CCCCCCCCCCNC(=O)N1CCC(C1)O 273464a_100000684558_100011215560 [0,0,0,1,0,0|3,0,0]=4 1121 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@@H](C1)F 2708a_100000684558_100015203821 [0,0,0,1,0,0|3,0,0]=4 1122 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@@H](C1)F 273464a_100000684558_100015203821 [0,0,0,1,0,0|3,0,0]=4 1123 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@H](C1)C 2708a_100000684558_100016987628 [0,0,0,1,0,0|2,0,0]=3 1124 B19R1.1007 CCCCCCCCCCNC(=O)N1CC[C@H](C1)C 273464a_100000684558_100016987628 [0,0,0,1,0,0|2,0,0]=3 1125 B19R1.1007 CN1CCC(C1)C(=O)CCCCCCCCCCO 1458a_100000739633_100009813290 [0,0,0,1,0,0|3,0,0]=4 1126 B19R1.1007 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCCO 240690a_100016987628_200000016029 [0,0,0,1,0,0|2,0,0]=3 1127 B19R1.1007 C[C@@H]1CCN(C1)C(=O)NCCCCCCCCCO 2708a_100000078944_100016987628 [0,0,0,1,0,0|3,0,0]=4 1128 B19R1.1007 C[C@@H]1CCN(C1)C(=O)NCCCCCCCCCO 273464a_100000078944_100016987628 [0,0,0,1,0,0|3,0,0]=4 1129 B19R1.1007 O=C(CCCCCCCCCCO)C1CCC(C1)O 1458a_100000688591_100009813290 [0,0,0,1,0,0|3,0,0]=4 1130 B19R1.1007 O=C(CCCCCCCCCCO)N1CCC(C1)O 240690a_100011215560_200000016029 [0,0,0,1,0,0|3,0,0]=4 1131 B19R1.1007 O=C(CCCCCCCCCCO)N1CC[C@@H](C1)F 240690a_100015203821_200000016029 [0,0,0,1,0,0|3,0,0]=4 1132 B19R1.7516 CCC1CCCCN1CCNC(=O)CCCC(C)C 11a_100000755458_100011216857 [0,0,0,1,0,0|3,0,0]=4 1133 B19R1.7516 CCC1CCCCN1CCNC(=O)CCCC(C)C 1626a_100000755458_100011216857 [0,0,0,1,0,0|3,0,0]=4 1134 B19R1.7516 CCC1CCCCN1CCNC(=O)CCCC(C)C 240690a_100000755458_100011216857 [0,0,0,1,0,0|3,0,0]=4 1135 B19R1.7516 CCC1CCCCN1CCNC(=O)CCCC(C)C 527a_100000755458_100011216857 [0,0,0,1,0,0|3,0,0]=4 1136 B19R1.7516 CCC1CCCCN1CCNC(=O)NCCC(C)C 2708a_100000210545_100000755458 [0,0,0,1,0,0|3,0,0]=4 1137 B19R1.7516 CCC1CCCCN1CCNC(=O)NCCC(C)C 2708a_100000755458_100000210545 [0,0,0,1,0,0|3,0,0]=4 1138 B19R1.7516 CCC1CCCCN1CCNC(=O)NCCC(C)C 273464a_100000210545_100000755458 [0,0,0,1,0,0|3,0,0]=4 1139 B19R1.7516 CCC1CCCCN1CCNC(=O)NCCC(C)C 273464a_100000755458_100000210545 [0,0,0,1,0,0|3,0,0]=4 1140 B19R1.7516 CCC1CCCCN1CCNC(=O)NCCC(C)C 512a_100000210545_100000755458 [0,0,0,1,0,0|3,0,0]=4 1141 B19R1.7516 CCC1CCCCN1CCNC(=O)NCCC(C)C 512a_100000755458_100000210545 [0,0,0,1,0,0|3,0,0]=4 1142 B19R1.10598 CC(C)CCCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100011216857 [0,0,0,1,0,0|3,0,0]=4 1143 B19R1.10598 CC(C)CCCC(=O)NCCCN1CCCCC1C 527a_100000212276_100011216857 [0,0,0,1,0,0|3,0,0]=4 1144 B19R1.10598 CC(C)CCNC(=O)NCCCN1CCCCC1C 2708a_100000210545_100000212276 [0,0,0,1,0,0|3,0,0]=4 1145 B19R1.10598 CC(C)CCNC(=O)NCCCN1CCCCC1C 273464a_100000210545_100000212276 [0,0,0,1,0,0|3,0,0]=4 1146 B19R1.10598 CC(C)CCNC(=O)NCCCN1CCCCC1C 273464a_100000212276_100000210545 [0,0,0,1,0,0|3,0,0]=4 1147 B19R1.10598 CC(C)CCNC(=O)NCCCN1CCCCC1C 512a_100000210545_100000212276 [0,0,0,1,0,0|3,0,0]=4 1148 B19R1.15484 CCCCCCCCCCCN1CC(C1)CC(C)C 2230a_214813039686_100011215454 [0,0,0,1,0,0|3,0,0]=4 1149 B19R1.15484 CCCCCCCCCCCN1CC(C1)CC(C)C 269982a_214813039686_100011215454 [0,0,0,1,0,0|3,0,0]=4 1150 B19R1.15484 CCCCCCCCCCCN1CC(C1)CC(C)C 34a_214813039686_100011215454 [0,0,0,1,0,0|3,0,0]=4 1151 B19R1.15489 CCCCCCCCCCCc1nc(no1)C(C)C 270196a_100000210513_100000210736 [0,0,0,1,0,0|2,0,1]=4 1152 B19R1.15501 CCCCCCCCCCCN1CCCC(CC1)C 2230a_100025706717_100011215454 [0,0,0,1,0,0|3,0,0]=4 1153 B19R1.15501 CCCCCCCCCCCN1CCCC(CC1)C 269982a_100025706717_100011215454 [0,0,0,1,0,0|3,0,0]=4 1154 B19R1.15501 CCCCCCCCCCCN1CCCC(CC1)C 34a_100025706717_100011215454 [0,0,0,1,0,0|3,0,0]=4 1155 B19R1.26149 CC(C)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011214892 [0,0,0,1,0,0|2,0,0]=3 1156 B19R1.26149 CC(C)CCCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100011214892 [0,0,0,1,0,0|3,0,0]=4 1157 B19R1.26149 CC(C)CCCC(=O)CCCCOC1CCCCO1 1458a_100011216857_100000031530 [0,0,0,1,0,0|3,0,0]=4 1158 B19R1.26149 CC(C)CCCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100011216857 [0,0,0,1,0,0|3,0,0]=4 1159 B19R1.26149 CC(C)CCCC(=O)NCCCOC1CCCCC1 11a_100000205933_100011216857 [0,0,0,1,0,0|3,0,0]=4 1160 B19R1.26149 CC(C)CCCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100011216857 [0,0,0,1,0,0|3,0,0]=4 1161 B19R1.26149 CC(C)CCCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100011216857 [0,0,0,1,0,0|3,0,0]=4 1162 B19R1.26149 CC(C)CCCC(=O)NCCCOC1CCCCC1 527a_100000205933_100011216857 [0,0,0,1,0,0|3,0,0]=4 1163 B19R1.26149 CC(C)CCNC(=O)CCCCCN1CCCCC1 11a_100000210545_100012051570 [0,0,0,1,0,0|2,0,0]=3 1164 B19R1.26149 CC(C)CCNC(=O)CCCCCN1CCCCC1 240690a_100000210545_100012051570 [0,0,0,1,0,0|2,0,0]=3 1165 B19R1.26149 CC(C)CCNC(=O)CCCCCN1CCOCC1 11a_100000210545_100012051560 [0,0,0,1,0,0|3,0,0]=4 1166 B19R1.26149 CC(C)CCNC(=O)CCCCCN1CCOCC1 240690a_100000210545_100012051560 [0,0,0,1,0,0|3,0,0]=4 1167 B19R1.26149 CC(C)CCNC(=O)NCCCCN1CCCCC1 2708a_100000210545_200011207366 [0,0,0,1,0,0|3,0,0]=4 1168 B19R1.26149 CC(C)CCNC(=O)NCCCCN1CCCCC1 2708a_200011207366_100000210545 [0,0,0,1,0,0|3,0,0]=4 1169 B19R1.26149 CC(C)CCNC(=O)NCCCCN1CCCCC1 273464a_100000210545_200011207366 [0,0,0,1,0,0|3,0,0]=4 1170 B19R1.26149 CC(C)CCNC(=O)NCCCCN1CCCCC1 273464a_200011207366_100000210545 [0,0,0,1,0,0|3,0,0]=4 1171 B19R1.26149 CC(C)CCNC(=O)NCCCCN1CCCCC1 512a_100000210545_200011207366 [0,0,0,1,0,0|3,0,0]=4 1172 B19R1.26149 CC(C)CCNC(=O)NCCCOC1CCCCC1 2708a_100000205933_100000210545 [0,0,0,1,0,0|3,0,0]=4 1173 B19R1.26149 CC(C)CCNC(=O)NCCCOC1CCCCC1 2708a_100000210545_100000205933 [0,0,0,1,0,0|3,0,0]=4 1174 B19R1.26149 CC(C)CCNC(=O)NCCCOC1CCCCC1 273464a_100000205933_100000210545 [0,0,0,1,0,0|3,0,0]=4 1175 B19R1.26149 CC(C)CCNC(=O)NCCCOC1CCCCC1 273464a_100000210545_100000205933 [0,0,0,1,0,0|3,0,0]=4 1176 B19R1.26149 CC(C)CCNC(=O)NCCCOC1CCCCC1 512a_100000205933_100000210545 [0,0,0,1,0,0|3,0,0]=4 1177 B19R1.26149 CC(C)CCNC(=O)NCCCOC1CCCCC1 512a_100000210545_100000205933 [0,0,0,1,0,0|3,0,0]=4 1178 B19R1.26149 CC(C)CNNC(=O)CCCCCN1CCCCC1 22a_100000696102_100012051570 [0,0,0,1,0,0|3,0,0]=4 1179 B19R1.26149 CC(C)OCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000211751 [0,0,0,1,0,0|3,0,0]=4 1180 B19R1.26149 CC(C)SCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000730970 [0,0,0,1,0,0|3,0,0]=4 1181 B19R1.26149 CC(O)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_200000718107 [0,0,0,1,0,0|3,0,0]=4 1182 B19R1.26149 CC(O)CCNC(=O)CCCCCN1CCCCC1 240690a_200000755665_100012051570 [0,0,0,1,0,0|3,0,0]=4 1183 B19R1.26149 CN(C)CCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000695564 [0,0,0,1,0,0|3,0,0]=4 1184 B19R1.26149 CN(C)CCNC(=O)CCCCCN1CCCCC1 240690a_100000210585_100012051570 [0,0,0,1,0,0|3,0,0]=4 1185 B19R1.26155 CC(C)CCCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100011216857 [0,0,0,1,0,0|3,0,0]=4 1186 B19R1.26155 CC(C)CCCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100011216857 [0,0,0,1,0,0|3,0,0]=4 1187 B19R1.26155 CC(C)CCNC(=O)NCCCCCN1CCCC1 2708a_100000210545_100011491779 [0,0,0,1,0,0|3,0,0]=4 1188 B19R1.26155 CC(C)CCNC(=O)NCCCCCN1CCCC1 2708a_100011491779_100000210545 [0,0,0,1,0,0|3,0,0]=4 1189 B19R1.26155 CC(C)CCNC(=O)NCCCCCN1CCCC1 273464a_100000210545_100011491779 [0,0,0,1,0,0|3,0,0]=4 1190 B19R1.26155 CC(C)CCNC(=O)NCCCCCN1CCCC1 273464a_100011491779_100000210545 [0,0,0,1,0,0|3,0,0]=4 1191 B19R1.26155 CC(C)CCNC(=O)NCCCCCN1CCCC1 512a_100000210545_100011491779 [0,0,0,1,0,0|3,0,0]=4 1192 B19R1.54559 COCCCC1CCCCN1C(=O)CCCC(C)C 11a_100011804088_100011216857 [0,0,0,1,0,0|3,0,0]=4 1193 B19R1.54559 COCCCC1CCCCN1C(=O)CCCC(C)C 1626a_100011804088_100011216857 [0,0,0,1,0,0|3,0,0]=4 1194 B19R1.54559 COCCCC1CCCCN1C(=O)CCCC(C)C 240690a_100011804088_100011216857 [0,0,0,1,0,0|3,0,0]=4 1195 B19R1.54559 COCCCC1CCCCN1C(=O)CCCC(C)C 527a_100011804088_100011216857 [0,0,0,1,0,0|3,0,0]=4 1196 B19R1.54559 COCCCC1CCCCN1C(=O)NCCC(C)C 2708a_100000210545_100011804088 [0,0,0,1,0,0|3,0,0]=4 1197 B19R1.54559 COCCCC1CCCCN1C(=O)NCCC(C)C 273464a_100000210545_100011804088 [0,0,0,1,0,0|3,0,0]=4 1198 B19R1.55077 C=C1CC(C1)NC(=O)CCCCCCCCCCC 11a_100132301982_100000210736 [0,0,0,1,0,0|1,0,2]=4 1199 B19R1.55077 C=C1CC(C1)NC(=O)CCCCCCCCCCC 1626a_100132301982_100000210736 [0,0,0,1,0,0|1,0,2]=4 1200 B19R1.55077 CCCCCCCCCCCC(=O)CC1CC(=O)C1 1458a_100000210736_100009874392 [0,0,0,1,0,0|2,0,1]=4 1201 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F 11a_100016993743_100000210736 [0,0,0,1,0,0|2,0,0]=3 1202 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000210736 [0,0,0,1,0,0|2,0,0]=3 1203 B19R1.55077 CCCCCCCCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000210736 [0,0,0,1,0,0|2,0,0]=3 1204 B19R1.55077 CCCCCCCCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000210736 [0,0,0,1,0,0|2,0,0]=3 1205 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210736 [0,0,0,1,0,0|2,0,0]=3 1206 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210736 [0,0,0,1,0,0|2,0,0]=3 1207 B19R1.55077 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210736 [0,0,0,1,0,0|2,0,0]=3 1208 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 2708a_100000684558_100016993743 [0,0,0,1,0,0|3,0,0]=4 1209 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 2708a_100016993743_100000684558 [0,0,0,1,0,0|3,0,0]=4 1210 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 273464a_100000684558_100016993743 [0,0,0,1,0,0|3,0,0]=4 1211 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 273464a_100016993743_100000684558 [0,0,0,1,0,0|3,0,0]=4 1212 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 512a_100000684558_100016993743 [0,0,0,1,0,0|3,0,0]=4 1213 B19R1.55077 CCCCCCCCCCNC(=O)NC1CC(C1)F 512a_100016993743_100000684558 [0,0,0,1,0,0|3,0,0]=4 1214 B19R1.55077 CCCCCCCCCCNC(=O)NC1CN(C1)C 2708a_100000684558_100015196640 [0,0,0,1,0,0|3,0,0]=4 1215 B19R1.55077 CCCCCCCCCCNC(=O)NC1CN(C1)C 2708a_100015196640_100000684558 [0,0,0,1,0,0|3,0,0]=4 1216 B19R1.55077 CCCCCCCCCCNC(=O)NC1CN(C1)C 273464a_100000684558_100015196640 [0,0,0,1,0,0|3,0,0]=4 1217 B19R1.55077 CCCCCCCCCCNC(=O)NC1CN(C1)C 273464a_100015196640_100000684558 [0,0,0,1,0,0|3,0,0]=4 1218 B19R1.55077 CCCCCCCCCCNC(=O)NC1CN(C1)C 512a_100000684558_100015196640 [0,0,0,1,0,0|3,0,0]=4 1219 B19R1.55077 CCCCCCCCCCNC(=O)NC1CN(C1)C 512a_100015196640_100000684558 [0,0,0,1,0,0|3,0,0]=4 1220 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100000684558_100020629032 [0,0,0,1,0,0|3,0,0]=4 1221 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100000684558_100020629032 [0,0,0,1,0,0|3,0,0]=4 1222 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100000684558 [0,0,0,1,0,0|3,0,0]=4 1223 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100000684558_100020629032 [0,0,0,1,0,0|3,0,0]=4 1224 B19R1.55077 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100000684558 [0,0,0,1,0,0|3,0,0]=4 1225 B19R1.55077 CCCCCCCCCCOC(=O)CN1CC(C1)C 2230a_100000702820_100000210668 [0,0,0,1,0,0|3,0,0]=4 1226 B19R1.55077 CCCCCCCCCCOC(=O)CN1CC(C1)C 269982a_100000702820_100000210668 [0,0,0,1,0,0|3,0,0]=4 1227 B19R1.55077 CCCCCCCCCCOC(=O)CN1CC(C1)C 34a_100000702820_100000210668 [0,0,0,1,0,0|3,0,0]=4 1228 B19R1.55077 CN1CC(C1)NC(=O)CCCCCCCCCCO 240690a_100015196640_200000016029 [0,0,0,1,0,0|3,0,0]=4 1229 B19R1.55077 O=C(CCCCCCCCCCO)NC1CC(C1)F 240690a_100016993743_200000016029 [0,0,0,1,0,0|3,0,0]=4 1230 B19R1.55077 O=C(CCCCCCCCCCO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_200000016029 [0,0,0,1,0,0|3,0,0]=4 1231 B19R1.55079 CCCCCCCCCC=CC(=O)NCCC1CC1 1626a_100000764129_200015352897 [0,0,0,1,0,0|1,0,2]=4 1232 B19R1.55079 CCCCCCCCCC=CC(=O)NCCC1CC1 240690a_100000764129_200015352897 [0,0,0,1,0,0|1,0,2]=4 1233 B19R1.55079 CCCCCCCCCCCC(=NNCC1CC1)C 4a_100000736359_100011216755 [0,0,0,1,0,0|3,0,0]=4 1234 B19R1.55079 CCCCCCCCCCCC(=O)CC#CC1CC1 1458a_100000210736_100009895102 [0,0,0,1,0,0|1,0,2]=4 1235 B19R1.55079 CCCCCCCCCCCC(=O)CCCC1CO1 1458a_100000210736_100000733510 [0,0,0,1,0,0|2,0,0]=3 1236 B19R1.55079 CCCCCCCCCCCC(=O)CSCC1CC1 1458a_200011316215_100011215454 [0,0,0,1,0,0|2,0,0]=3 1237 B19R1.55079 CCCCCCCCCCCC(=O)NCCC1CC1 1626a_100000764129_100000210736 [0,0,0,1,0,0|1,0,0]=2 1238 B19R1.55079 CCCCCCCCCCCC(=O)NCCC1CC1 240690a_100000764129_100000210736 [0,0,0,1,0,0|1,0,0]=2 1239 B19R1.55079 CCCCCCCCCCCC(=O)NN=CC1CC1 4a_200011219152_100000741477 [0,0,0,1,0,0|2,0,1]=4 1240 B19R1.55079 CCCCCCCCCCCC(=O)NNCC1CC1 22a_100000736359_100000210736 [0,0,0,1,0,0|2,0,0]=3 1241 B19R1.55079 CCCCCCCCCCCC(=O)OCNC1CC1 34a_100000212008_100020644155 [0,0,0,1,0,0|1,0,0]=2 1242 B19R1.55079 CCCCCCCCCCCC(C)NCCC1CC1 270004a_100000764129_100011216755 [0,0,0,1,0,0|2,0,1]=4 1243 B19R1.55079 CCCCCCCCCCCC(C)OCCC1CO1 34a_100011217895_100000732470 [0,0,0,1,0,0|2,0,1]=4 1244 B19R1.55079 CCCCCCCCCCCC(C)OCCC1CO1 7a_100011217895_100000732470 [0,0,0,1,0,0|2,0,1]=4 1245 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 11a_100000684558_200011316215 [0,0,0,1,0,0|3,0,0]=4 1246 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 1626a_100000684558_200011316215 [0,0,0,1,0,0|3,0,0]=4 1247 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 240690a_100000684558_200011316215 [0,0,0,1,0,0|3,0,0]=4 1248 B19R1.55079 CCCCCCCCCCNC(=O)CSCC1CC1 527a_100000684558_200011316215 [0,0,0,1,0,0|3,0,0]=4 1249 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 2708a_100000684558_100000764129 [0,0,0,1,0,0|2,0,0]=3 1250 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 2708a_100000764129_100000684558 [0,0,0,1,0,0|2,0,0]=3 1251 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 273464a_100000684558_100000764129 [0,0,0,1,0,0|2,0,0]=3 1252 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 273464a_100000764129_100000684558 [0,0,0,1,0,0|2,0,0]=3 1253 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 512a_100000684558_100000764129 [0,0,0,1,0,0|2,0,0]=3 1254 B19R1.55079 CCCCCCCCCCNC(=O)NCCC1CC1 512a_100000764129_100000684558 [0,0,0,1,0,0|2,0,0]=3 1255 B19R1.55079 CCCCCCCCCCNC(=O)NNCC1CC1 273464a_100000684558_100000736359 [0,0,0,1,0,0|3,0,0]=4 1256 B19R1.55079 CCCCCCCCCCNC(=O)NNCC1CC1 512a_100000684558_100000736359 [0,0,0,1,0,0|3,0,0]=4 1257 B19R1.55079 CCCCCCCCCCNC(=O)NNCC1CC1 512a_100000736359_100000684558 [0,0,0,1,0,0|3,0,0]=4 1258 B19R1.55079 CCCCCCCCCCOC(=O)CNCC1CC1 2230a_100000735609_100000210668 [0,0,0,1,0,0|3,0,0]=4 1259 B19R1.55079 CCCCCCCCCCOC(=O)CNCC1CC1 34a_100000735609_100000210668 [0,0,0,1,0,0|3,0,0]=4 1260 B19R1.55079 CCCCCCCCCCOC(=O)COCC1CC1 34a_100000211283_100000210668 [0,0,0,1,0,0|3,0,0]=4 1261 B19R1.55079 CCCCCCCCCCOC(=O)CSCC1CC1 62a_100000680656_100000742324 [0,0,0,1,0,0|3,0,0]=4 1262 B19R1.55079 CCCCCCCCCCOC(=O)CSCC1CC1 62a_100000756562_100000680656 [0,0,0,1,0,0|3,0,0]=4 1263 B19R1.55079 O=C(CCCCCCCCCCO)CSCC1CC1 1458a_200011316215_100009813290 [0,0,0,1,0,0|3,0,0]=4 1264 B19R1.55079 O=C(CCCCCCCCCCO)NCCC1CC1 240690a_100000764129_200000016029 [0,0,0,1,0,0|2,0,0]=3 1265 B19R1.55079 O=C(CCCCCCCCCCO)NNCC1CC1 22a_100000736359_200000016029 [0,0,0,1,0,0|3,0,0]=4 1266 B19R1.55079 O=C(NCCCCCCCCCO)NCCC1CC1 2708a_100000078944_100000764129 [0,0,0,1,0,0|3,0,0]=4 1267 B19R1.55079 O=C(NCCCCCCCCCO)NCCC1CC1 2708a_100000764129_100000078944 [0,0,0,1,0,0|3,0,0]=4 1268 B19R1.55079 O=C(NCCCCCCCCCO)NCCC1CC1 273464a_100000078944_100000764129 [0,0,0,1,0,0|3,0,0]=4 1269 B19R1.55079 O=C(NCCCCCCCCCO)NCCC1CC1 273464a_100000764129_100000078944 [0,0,0,1,0,0|3,0,0]=4 1270 B19R1.55079 O=C(NCCCCCCCCCO)NCCC1CC1 512a_100000078944_100000764129 [0,0,0,1,0,0|3,0,0]=4 1271 B19R1.55079 O=C(NCCCCCCCCCO)NCCC1CC1 512a_100000764129_100000078944 [0,0,0,1,0,0|3,0,0]=4 1272 B19R1.142054 CCCCCCCCCCCN1CCCC(C1)(C)C 2230a_100000716857_100011215454 [0,0,0,1,0,0|3,0,0]=4 1273 B19R1.142054 CCCCCCCCCCCN1CCCC(C1)(C)C 269982a_100000716857_100011215454 [0,0,0,1,0,0|3,0,0]=4 1274 B19R1.142054 CCCCCCCCCCCN1CCCC(C1)(C)C 34a_100000716857_100011215454 [0,0,0,1,0,0|3,0,0]=4 1275 B19R1.280287 CC(C)CCCC(=O)NCCCN1CCCCCC1 11a_100000181460_100011216857 [0,0,0,1,0,0|3,0,0]=4 1276 B19R1.280287 CC(C)CCCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100011216857 [0,0,0,1,0,0|3,0,0]=4 1277 B19R1.280287 CC(C)CCCC(=O)NCCCN1CCCCCC1 527a_100000181460_100011216857 [0,0,0,1,0,0|3,0,0]=4 1278 B19R1.280287 CC(C)CCNC(=O)NCCCN1CCCCCC1 2708a_100000210545_100000181460 [0,0,0,1,0,0|3,0,0]=4 1279 B19R1.280287 CC(C)CCNC(=O)NCCCN1CCCCCC1 273464a_100000181460_100000210545 [0,0,0,1,0,0|3,0,0]=4 1280 B19R1.280287 CC(C)CCNC(=O)NCCCN1CCCCCC1 273464a_100000210545_100000181460 [0,0,0,1,0,0|3,0,0]=4 1281 B19R1.280287 CC(C)CCNC(=O)NCCCN1CCCCCC1 512a_100000181460_100000210545 [0,0,0,1,0,0|3,0,0]=4 1282 B19R1.280287 CC(C)CCNC(=O)NCCCN1CCCCCC1 512a_100000210545_100000181460 [0,0,0,1,0,0|3,0,0]=4 1283 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100011216857 [0,0,0,1,0,0|2,0,0]=3 1284 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100011216857 [0,0,0,1,0,0|2,0,0]=3 1285 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011216857 [0,0,0,1,0,0|2,0,0]=3 1286 B19R1.437254 CC(C)CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100011216857 [0,0,0,1,0,0|2,0,0]=3 1287 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100000210545_100011532352 [0,0,0,1,0,0|2,0,0]=3 1288 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000210545 [0,0,0,1,0,0|2,0,0]=3 1289 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100000210545_100011532352 [0,0,0,1,0,0|2,0,0]=3 1290 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000210545 [0,0,0,1,0,0|2,0,0]=3 1291 B19R1.437254 CC(C)CCNC(=O)NCCC1CCCCCCC1 512a_100000210545_100011532352 [0,0,0,1,0,0|2,0,0]=3 1292 B19R1.437254 CC(C)CNNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000696102 [0,0,0,1,0,0|3,0,0]=4 1293 B19R1.437254 CC(C)CNNC(=O)NCCC1CCCCCCC1 512a_100000696102_100011532352 [0,0,0,1,0,0|3,0,0]=4 1294 B19R1.437254 CC(C)COCC(=O)NCCC1CCCCCCC1 11a_100011532352_100011223364 [0,0,0,1,0,0|3,0,0]=4 1295 B19R1.437254 CC(C)COCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100011223364 [0,0,0,1,0,0|3,0,0]=4 1296 B19R1.437254 CC(C)COCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011223364 [0,0,0,1,0,0|3,0,0]=4 1297 B19R1.437254 CC(C)COCC(=O)NCCC1CCCCCCC1 527a_100011532352_100011223364 [0,0,0,1,0,0|3,0,0]=4 1298 B19R1.437254 CC(O)CCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000761597 [0,0,0,1,0,0|3,0,0]=4 1299 B19R1.437254 CC(O)CCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000761597 [0,0,0,1,0,0|3,0,0]=4 1300 B19R1.437254 CC(O)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_200000755665 [0,0,0,1,0,0|3,0,0]=4 1301 B19R1.437254 CC(O)CCNC(=O)NCCC1CCCCCCC1 273464a_200000755665_100011532352 [0,0,0,1,0,0|3,0,0]=4 1302 B19R1.437254 CC(O)CCNC(=O)NCCC1CCCCCCC1 512a_200000755665_100011532352 [0,0,0,1,0,0|3,0,0]=4 1303 B19R1.437254 CN(C)CCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000740757 [0,0,0,1,0,0|3,0,0]=4 1304 B19R1.437254 CN(C)CCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000740757 [0,0,0,1,0,0|3,0,0]=4 1305 B19R1.437254 CN(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000210585 [0,0,0,1,0,0|3,0,0]=4 1306 B19R1.437254 CN(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100000210585_100011532352 [0,0,0,1,0,0|3,0,0]=4 1307 B19R1.437254 CN(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000210585 [0,0,0,1,0,0|3,0,0]=4 1308 B19R1.499308 CCCCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000138109_100011215454 [0,0,0,1,0,0|3,0,0]=4 1309 B19R1.499308 CCCCCCCCCCCC(=O)CC1CC1(F)F 1458a_100000210736_100009817841 [0,0,0,1,0,0|3,0,0]=4 1310 B19R1.499308 CCCCCCCCCCCC(=O)NC1CC1(F)F 1626a_100020610826_100000210736 [0,0,0,1,0,0|3,0,0]=4 1311 B19R1.499308 CCCCCCCCCCCC(=O)NC1CC1(F)F 240690a_100020610826_100000210736 [0,0,0,1,0,0|3,0,0]=4 1312 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [0,0,0,0,1,0|0,0,2]=3 1313 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [0,0,0,0,1,0|0,0,2]=3 1314 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCO 1458a_200000688413_100009813290 [0,0,0,0,1,0|1,0,2]=4 1315 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 11a_100000684558_200000688413 [0,0,0,0,1,0|1,0,2]=4 1316 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 1626a_100000684558_200000688413 [0,0,0,0,1,0|1,0,2]=4 1317 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 240690a_100000684558_200000688413 [0,0,0,0,1,0|1,0,2]=4 1318 B17R0.192 C=C(C)CCC(=O)NCCCCCCCCCC 527a_100000684558_200000688413 [0,0,0,0,1,0|1,0,2]=4 1319 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 11a_100000765925_100000210736 [0,0,0,0,1,0|1,0,2]=4 1320 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 1626a_100000765925_100000210736 [0,0,0,0,1,0|1,0,2]=4 1321 B17R0.192 C=C(C)CNC(=O)CCCCCCCCCCC 240690a_100000765925_100000210736 [0,0,0,0,1,0|1,0,2]=4 1322 B17R0.192 C=CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100009814027 [0,0,0,0,1,0|0,0,2]=3 1323 B17R0.192 C=CCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100009814027 [0,0,0,0,1,0|1,0,2]=4 1324 B17R0.192 C=CCCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100009814027 [0,0,0,0,1,0|1,0,2]=4 1325 B17R0.192 C=CCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100009814027 [0,0,0,0,1,0|1,0,2]=4 1326 B17R0.192 CC(=CCC(=O)CCCCCCCCCCO)C 1458a_100011220947_100009813290 [0,0,0,0,1,0|1,0,2]=4 1327 B17R0.192 CC(C)C=CC(=O)CCCCCCCCCCO 1458a_100016268746_100009813290 [0,0,0,0,1,0|1,0,2]=4 1328 B17R0.192 CC(C)CCC(=O)CCCCCCCCCCO 1458a_100000181311_100009813290 [0,0,0,0,1,0|1,0,0]=2 1329 B17R0.192 CC(C)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000181311 [0,0,0,0,1,0|2,0,0]=3 1330 B17R0.192 CC(C)CCN(C)CCCCCCCCCCO 2230a_100000742789_100009813290 [0,0,0,0,1,0|3,0,0]=4 1331 B17R0.192 CC(C)CCN(C)CCCCCCCCCCO 269982a_100000742789_100009813290 [0,0,0,0,1,0|3,0,0]=4 1332 B17R0.192 CC(C)CNC(=O)CCCCCCCCCCO 240690a_100000210953_200000016029 [0,0,0,0,1,0|2,0,0]=3 1333 B17R0.192 CC(C)CNC(=O)CCCNCCCCCCO 2230a_100000686447_100011194448 [0,0,0,0,1,0|3,0,0]=4 1334 B17R0.192 CC(C)CNC(=O)CCCNCCCCCCO 34a_100000686447_100011194448 [0,0,0,0,1,0|3,0,0]=4 1335 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCBr 34a_100011215345_100011194448 [0,0,0,0,1,0|3,0,0]=4 1336 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCBr 7a_100011215345_100011194448 [0,0,0,0,1,0|3,0,0]=4 1337 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCCl 34a_100000766143_100011194448 [0,0,0,0,1,0|3,0,0]=4 1338 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCCl 7a_100000766143_100011194448 [0,0,0,0,1,0|3,0,0]=4 1339 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCF 34a_100000732779_100011194448 [0,0,0,0,1,0|3,0,0]=4 1340 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCF 7a_100000732779_100011194448 [0,0,0,0,1,0|3,0,0]=4 1341 B17R0.192 CC(C)CNC(=O)CCCOCCCCCCN 34a_100000686447_100011194448 [0,0,0,0,1,0|3,0,0]=4 1342 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCF 62a_100011194448_100015922095 [0,0,0,0,1,0|3,0,0]=4 1343 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCF 62a_100015922095_100011194448 [0,0,0,0,1,0|3,0,0]=4 1344 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCO 62a_100000766143_100011194448 [0,0,0,0,1,0|3,0,0]=4 1345 B17R0.192 CC(C)CNC(=O)CCCSCCCCCCO 62a_100011194448_100000766143 [0,0,0,0,1,0|3,0,0]=4 1346 B17R0.192 CC(C)CNC(=O)CNCCCCCCCCO 2230a_102515433106_100000183291 [0,0,0,0,1,0|3,0,0]=4 1347 B17R0.192 CC(C)CNC(=O)CNCCCCCCCCO 34a_102515433106_100000183291 [0,0,0,0,1,0|3,0,0]=4 1348 B17R0.192 CC(C)CNC(=O)COCCCCCCCCBr 34a_100009813846_100000183291 [0,0,0,0,1,0|3,0,0]=4 1349 B17R0.192 CC(C)CNC(=O)COCCCCCCCCBr 7a_100009813846_100000183291 [0,0,0,0,1,0|3,0,0]=4 1350 B17R0.192 CC(C)CNC(=O)COCCCCCCCCCl 34a_100000033203_100000183291 [0,0,0,0,1,0|3,0,0]=4 1351 B17R0.192 CC(C)CNC(=O)COCCCCCCCCCl 7a_100000033203_100000183291 [0,0,0,0,1,0|3,0,0]=4 1352 B17R0.192 CC(C)CNC(=O)COCCCCCCCCN 34a_102515433106_100000183291 [0,0,0,0,1,0|3,0,0]=4 1353 B17R0.192 CC(C)CNC(=O)CSCCCCCCCCO 62a_100000033203_100000183291 [0,0,0,0,1,0|3,0,0]=4 1354 B17R0.192 CC(C)CNC(=O)CSCCCCCCCCO 62a_100000183291_100000033203 [0,0,0,0,1,0|3,0,0]=4 1355 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 2708a_100000078944_100000210953 [0,0,0,0,1,0|3,0,0]=4 1356 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 2708a_100000210953_100000078944 [0,0,0,0,1,0|3,0,0]=4 1357 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 273464a_100000078944_100000210953 [0,0,0,0,1,0|3,0,0]=4 1358 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 273464a_100000210953_100000078944 [0,0,0,0,1,0|3,0,0]=4 1359 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 512a_100000078944_100000210953 [0,0,0,0,1,0|3,0,0]=4 1360 B17R0.192 CC(C)CNC(=O)NCCCCCCCCCO 512a_100000210953_100000078944 [0,0,0,0,1,0|3,0,0]=4 1361 B17R0.192 CC(C)NNC(=O)CCCCCCCCCCO 22a_100000741168_200000016029 [0,0,0,0,1,0|3,0,0]=4 1362 B17R0.192 CC(C)OCC(=O)CCCCCCCCCCO 1458a_100000745533_100009813290 [0,0,0,0,1,0|2,0,0]=3 1363 B17R0.192 CC(C)OCC(=O)NCCCCCCCCCO 240690a_100000078944_100000745533 [0,0,0,0,1,0|3,0,0]=4 1364 B17R0.192 CC(C)SCC(=O)CCCCCCCCCCO 1458a_100000241585_100009813290 [0,0,0,0,1,0|2,0,0]=3 1365 B17R0.192 CC(C)SCC(=O)NCCCCCCCCCO 240690a_100000078944_100000241585 [0,0,0,0,1,0|3,0,0]=4 1366 B17R0.192 CC(O)CNC(=O)CCCCCCCCCCO 240690a_100000210904_200000016029 [0,0,0,0,1,0|3,0,0]=4 1367 B17R0.192 CCCCCCCCCC=CC(=O)CCC(C)C 1458a_200015352897_100000210312 [0,0,0,0,1,0|0,0,2]=3 1368 B17R0.192 CCCCCCCCCC=CC(=O)CCC(C)O 1458a_200015352897_100012276601 [0,0,0,0,1,0|1,0,2]=4 1369 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)C 11a_100000210953_200015352897 [0,0,0,0,1,0|1,0,2]=4 1370 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)C 1626a_100000210953_200015352897 [0,0,0,0,1,0|1,0,2]=4 1371 B17R0.192 CCCCCCCCCC=CC(=O)NCC(C)C 240690a_100000210953_200015352897 [0,0,0,0,1,0|1,0,2]=4 1372 B17R0.192 CCCCCCCCCCCC(=NNC(C)C)C 4a_100000741168_100011216755 [0,0,0,0,1,0|3,0,0]=4 1373 B17R0.192 CCCCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100011215454 [0,0,0,0,1,0|0,0,2]=3 1374 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100000210736_100000761012 [0,0,0,0,1,0|0,0,2]=3 1375 B17R0.192 CCCCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100011215454 [0,0,0,0,1,0|0,0,2]=3 1376 B17R0.192 CCCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100011215454 [0,0,0,0,1,0|2,0,1]=4 1377 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011215454 [0,0,0,0,1,0|0,0,0]=1 1378 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000210736_100000210312 [0,0,0,0,1,0|0,0,0]=1 1379 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)O 1458a_100000210736_100012276601 [0,0,0,0,1,0|1,0,0]=2 1380 B17R0.192 CCCCCCCCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011215454 [0,0,0,0,1,0|3,0,0]=4 1381 B17R0.192 CCCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100011215454 [0,0,0,0,1,0|1,0,0]=2 1382 B17R0.192 CCCCCCCCCCCC(=O)CNC(=O)C 1458a_100000194580_100011215454 [0,0,0,0,1,0|2,0,1]=4 1383 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C 1458a_100000183556_100011215454 [0,0,0,0,1,0|2,0,1]=4 1384 B17R0.192 CCCCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100011215454 [0,0,0,0,1,0|1,0,0]=2 1385 B17R0.192 CCCCCCCCCCCC(=O)COC(F)F 1458a_200000719455_100011215454 [0,0,0,0,1,0|3,0,0]=4 1386 B17R0.192 CCCCCCCCCCCC(=O)CSC(=O)C 1458a_100000049016_100011215454 [0,0,0,0,1,0|2,0,1]=4 1387 B17R0.192 CCCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100011215454 [0,0,0,0,1,0|1,0,0]=2 1388 B17R0.192 CCCCCCCCCCCC(=O)CSC(F)F 1458a_114828291038_100011215454 [0,0,0,0,1,0|3,0,0]=4 1389 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)C 1458a_100001278556_200000210301 [0,0,0,0,1,0|2,0,1]=4 1390 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)[13CH3] 1458a_100001278556_200025704644 [0,0,0,0,1,0|2,0,1]=4 1391 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210736 [0,0,0,0,1,0|1,0,0]=2 1392 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210736 [0,0,0,0,1,0|1,0,0]=2 1393 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210736 [0,0,0,0,1,0|1,0,0]=2 1394 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210736 [0,0,0,0,1,0|2,0,0]=3 1395 B17R0.192 CCCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210736 [0,0,0,0,1,0|2,0,0]=3 1396 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 11a_100000765723_100000210736 [0,0,0,0,1,0|3,0,0]=4 1397 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 1626a_100000765723_100000210736 [0,0,0,0,1,0|3,0,0]=4 1398 B17R0.192 CCCCCCCCCCCC(=O)NCC(F)F 240690a_100000765723_100000210736 [0,0,0,0,1,0|3,0,0]=4 1399 B17R0.192 CCCCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210736 [0,0,0,0,1,0|2,0,0]=3 1400 B17R0.192 CCCCCCCCCCCC(=O)OCC(=O)C 1458a_100000070787_100020644155 [0,0,0,0,1,0|1,0,1]=3 1401 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 2230a_100102631434_100020644155 [0,0,0,0,1,0|1,0,0]=2 1402 B17R0.192 CCCCCCCCCCCC(=O)OCN(C)C 269982a_100102631434_100020644155 [0,0,0,0,1,0|1,0,0]=2 1403 B17R0.192 CCCCCCCCCCCC(C)NCC(C)C 270004a_100000210953_100011216755 [0,0,0,0,1,0|2,0,1]=4 1404 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 34a_100011217895_100000210624 [0,0,0,0,1,0|1,0,1]=3 1405 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 7a_100011217895_100000210760 [0,0,0,0,1,0|1,0,1]=3 1406 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 34a_100011217895_100011218427 [0,0,0,0,1,0|2,0,1]=4 1407 B17R0.192 CCCCCCCCCCCC(C)OCC(C)O 7a_100011217895_100011218427 [0,0,0,0,1,0|2,0,1]=4 1408 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 34a_100011217895_100009817552 [0,0,0,0,1,0|2,0,1]=4 1409 B17R0.192 CCCCCCCCCCCC(C)OC[C@@H](C)O 7a_100011217895_100009817552 [0,0,0,0,1,0|2,0,1]=4 1410 B17R0.192 CCCCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100011215454 [0,0,0,0,1,0|2,0,0]=3 1411 B17R0.192 CCCCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100011215454 [0,0,0,0,1,0|2,0,0]=3 1412 B17R0.192 CCCCCCCCCCCN(C)CCN(C)C 269982a_100000225618_100011215454 [0,0,0,0,1,0|3,0,0]=4 1413 B17R0.192 CCCCCCCCCCNC(=O)C=CC(C)C 11a_100000684558_100016268746 [0,0,0,0,1,0|1,0,2]=4 1414 B17R0.192 CCCCCCCCCCNC(=O)C=CC(C)C 1626a_100000684558_100016268746 [0,0,0,0,1,0|1,0,2]=4 1415 B17R0.192 CCCCCCCCCCNC(=O)C=CC(C)C 240690a_100000684558_100016268746 [0,0,0,0,1,0|1,0,2]=4 1416 B17R0.192 CCCCCCCCCCNC(=O)CC=C(C)C 11a_100000684558_100011220947 [0,0,0,0,1,0|1,0,2]=4 1417 B17R0.192 CCCCCCCCCCNC(=O)CC=C(C)C 1626a_100000684558_100011220947 [0,0,0,0,1,0|1,0,2]=4 1418 B17R0.192 CCCCCCCCCCNC(=O)CC=C(C)C 240690a_100000684558_100011220947 [0,0,0,0,1,0|1,0,2]=4 1419 B17R0.192 CCCCCCCCCCNC(=O)CC=C(C)C 527a_100000684558_100011220947 [0,0,0,0,1,0|1,0,2]=4 1420 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 11a_100000684558_100000181311 [0,0,0,0,1,0|1,0,0]=2 1421 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 1626a_100000684558_100000181311 [0,0,0,0,1,0|1,0,0]=2 1422 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 240690a_100000684558_100000181311 [0,0,0,0,1,0|1,0,0]=2 1423 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)C 527a_100000684558_100000181311 [0,0,0,0,1,0|1,0,0]=2 1424 B17R0.192 CCCCCCCCCCNC(=O)CCC(C)O 1626a_100000684558_100000718519 [0,0,0,0,1,0|2,0,0]=3 1425 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 11a_100000684558_100000689311 [0,0,0,0,1,0|2,0,0]=3 1426 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 240690a_100000684558_100000689311 [0,0,0,0,1,0|2,0,0]=3 1427 B17R0.192 CCCCCCCCCCNC(=O)CCN(C)C 527a_100000684558_100000689311 [0,0,0,0,1,0|2,0,0]=3 1428 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 11a_100000684558_100009452791 [0,0,0,0,1,0|2,0,0]=3 1429 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 1626a_100000684558_100009452791 [0,0,0,0,1,0|2,0,0]=3 1430 B17R0.192 CCCCCCCCCCNC(=O)CC[S+](C)C 240690a_100000684558_100009452791 [0,0,0,0,1,0|2,0,0]=3 1431 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 11a_100000684558_100000745533 [0,0,0,0,1,0|2,0,0]=3 1432 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 1626a_100000684558_100000745533 [0,0,0,0,1,0|2,0,0]=3 1433 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 240690a_100000684558_100000745533 [0,0,0,0,1,0|2,0,0]=3 1434 B17R0.192 CCCCCCCCCCNC(=O)COC(C)C 527a_100000684558_100000745533 [0,0,0,0,1,0|2,0,0]=3 1435 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 11a_100000684558_100000241585 [0,0,0,0,1,0|2,0,0]=3 1436 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 1626a_100000684558_100000241585 [0,0,0,0,1,0|2,0,0]=3 1437 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 240690a_100000684558_100000241585 [0,0,0,0,1,0|2,0,0]=3 1438 B17R0.192 CCCCCCCCCCNC(=O)CSC(C)C 527a_100000684558_100000241585 [0,0,0,0,1,0|2,0,0]=3 1439 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000684558 [0,0,0,0,1,0|2,0,0]=3 1440 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 2708a_100000684558_100000210953 [0,0,0,0,1,0|2,0,0]=3 1441 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000684558 [0,0,0,0,1,0|2,0,0]=3 1442 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 273464a_100000684558_100000210953 [0,0,0,0,1,0|2,0,0]=3 1443 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000684558 [0,0,0,0,1,0|2,0,0]=3 1444 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)C 512a_100000684558_100000210953 [0,0,0,0,1,0|2,0,0]=3 1445 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 2708a_100000684558_100000210904 [0,0,0,0,1,0|3,0,0]=4 1446 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000210904_100000684558 [0,0,0,0,1,0|3,0,0]=4 1447 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 273464a_100000684558_100000210904 [0,0,0,0,1,0|3,0,0]=4 1448 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000210904_100000684558 [0,0,0,0,1,0|3,0,0]=4 1449 B17R0.192 CCCCCCCCCCNC(=O)NCC(C)O 512a_100000684558_100000210904 [0,0,0,0,1,0|3,0,0]=4 1450 B17R0.192 CCCCCCCCCCNC(=O)NNC(C)C 273464a_100000684558_100000741168 [0,0,0,0,1,0|3,0,0]=4 1451 B17R0.192 CCCCCCCCCCNC(=O)NNC(C)C 512a_100000684558_100000741168 [0,0,0,0,1,0|3,0,0]=4 1452 B17R0.192 CCCCCCCCCCNC(=O)NNC(C)C 512a_100000741168_100000684558 [0,0,0,0,1,0|3,0,0]=4 1453 B17R0.192 CCCCCCCCCCNC(C)CCC(C)C 2230a_100000684558_100011261404 [0,0,0,0,1,0|2,0,1]=4 1454 B17R0.192 CCCCCCCCCCNC(C)CCC(C)C 2230a_100138410893_100000210320 [0,0,0,0,1,0|2,0,1]=4 1455 B17R0.192 CCCCCCCCCCNC(C)CCC(C)C 270004a_100000684558_100000210476 [0,0,0,0,1,0|2,0,1]=4 1456 B17R0.192 CCCCCCCCCCNC(C)CCC(C)C 34a_100000684558_100011261404 [0,0,0,0,1,0|2,0,1]=4 1457 B17R0.192 CCCCCCCCCCOC(=O)CNC(C)C 2230a_100138425928_100000210668 [0,0,0,0,1,0|2,0,0]=3 1458 B17R0.192 CCCCCCCCCCOC(=O)CNC(C)C 34a_100138425928_100000210668 [0,0,0,0,1,0|2,0,0]=3 1459 B17R0.192 CCCCCCCCCCOC(=O)COC(C)C 34a_100000212225_100000210668 [0,0,0,0,1,0|2,0,0]=3 1460 B17R0.192 CCCCCCCCCCOC(=O)CSC(C)C 62a_100000210206_100000680656 [0,0,0,0,1,0|2,0,0]=3 1461 B17R0.192 CCCCCCCCCCOC(=O)CSC(C)C 62a_100000680656_100000210206 [0,0,0,0,1,0|2,0,0]=3 1462 B17R0.192 CCCCCCCCCCOC(C)CCC(C)C 34a_100000210711_100011261404 [0,0,0,0,1,0|2,0,1]=4 1463 B17R0.192 CCCCCCCCCCOC(C)CCC(C)C 34a_100011215350_100000210320 [0,0,0,0,1,0|2,0,1]=4 1464 B17R0.192 CCCCCCCCCCOC(C)CCC(C)C 7a_100011215350_100000210320 [0,0,0,0,1,0|2,0,1]=4 1465 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 2230a_100000212291_100000183291 [0,0,0,0,1,0|2,0,0]=3 1466 B17R0.192 CCCCCCCCCNCC(=O)NCC(C)C 34a_100000212291_100000183291 [0,0,0,0,1,0|2,0,0]=3 1467 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 34a_100000210712_100000183291 [0,0,0,0,1,0|2,0,0]=3 1468 B17R0.192 CCCCCCCCCOCC(=O)NCC(C)C 7a_100000210712_100000183291 [0,0,0,0,1,0|2,0,0]=3 1469 B17R0.192 CCCCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210670 [0,0,0,0,1,0|2,0,0]=3 1470 B17R0.192 CCCCCCCNCCCC(=O)NCC(C)C 2230a_100000229938_100011194448 [0,0,0,0,1,0|2,0,0]=3 1471 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 34a_100000210272_100011194448 [0,0,0,0,1,0|2,0,0]=3 1472 B17R0.192 CCCCCCCOCCCC(=O)NCC(C)C 7a_100000210272_100011194448 [0,0,0,0,1,0|2,0,0]=3 1473 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100000210614_100011194448 [0,0,0,0,1,0|2,0,0]=3 1474 B17R0.192 CCCCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210316 [0,0,0,0,1,0|2,0,0]=3 1475 B17R0.192 CCCCCCOCCOCC(=O)NCC(C)C 34a_100000691444_100000183291 [0,0,0,0,1,0|3,0,0]=4 1476 B17R0.192 CCCCCCOCCOCC(=O)NCC(C)C 7a_100000691444_100000183291 [0,0,0,0,1,0|3,0,0]=4 1477 B17R0.192 CCCCNCCCCOCC(=O)NCC(C)C 34a_200011216965_100000183291 [0,0,0,0,1,0|3,0,0]=4 1478 B17R0.192 CCCCOCCCCOCC(=O)NCC(C)C 34a_200000760531_100000183291 [0,0,0,0,1,0|3,0,0]=4 1479 B17R0.192 CCCCOCCCCOCC(=O)NCC(C)C 7a_200000760531_100000183291 [0,0,0,0,1,0|3,0,0]=4 1480 B17R0.192 CCCCOCCOCCCC(=O)NCC(C)C 34a_100000210238_100011194448 [0,0,0,0,1,0|3,0,0]=4 1481 B17R0.192 CCCCOCCOCCCC(=O)NCC(C)C 7a_100000210238_100011194448 [0,0,0,0,1,0|3,0,0]=4 1482 B17R0.192 CCCCOCCSCCCC(=O)NCC(C)C 62a_100000743108_100011194448 [0,0,0,0,1,0|3,0,0]=4 1483 B17R0.192 CCCCOCCSCCCC(=O)NCC(C)C 62a_100011194448_100000743108 [0,0,0,0,1,0|3,0,0]=4 1484 B17R0.192 CCCCSCCNCCCC(=O)NCC(C)C 2230a_100025743550_100011194448 [0,0,0,0,1,0|3,0,0]=4 1485 B17R0.192 CCCCSCCOCCCC(=O)NCC(C)C 34a_200000230436_100011194448 [0,0,0,0,1,0|3,0,0]=4 1486 B17R0.192 CCCCSCCOCCCC(=O)NCC(C)C 7a_200000230436_100011194448 [0,0,0,0,1,0|3,0,0]=4 1487 B17R0.192 CCCOCCCNCCCC(=O)NCC(C)C 2230a_100011217757_100011194448 [0,0,0,0,1,0|3,0,0]=4 1488 B17R0.192 CCCOCCCNCCCC(=O)NCC(C)C 34a_100011217757_100011194448 [0,0,0,0,1,0|3,0,0]=4 1489 B17R0.192 CN(C)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000689311 [0,0,0,0,1,0|3,0,0]=4 1490 B17R0.192 CNCCCCCOCCCC(=O)NCC(C)C 34a_100000722520_100011194448 [0,0,0,0,1,0|3,0,0]=4 1491 B17R0.192 COCCCCCNCCCC(=O)NCC(C)C 2230a_100000747528_100011194448 [0,0,0,0,1,0|3,0,0]=4 1492 B17R0.192 COCCCCCNCCCC(=O)NCC(C)C 34a_100000747528_100011194448 [0,0,0,0,1,0|3,0,0]=4 1493 B17R0.192 C[S+](C)CCC(=O)CCCCCCCCCCO 1458a_100009452791_100009813290 [0,0,0,0,1,0|2,0,0]=3 1494 B17R0.192 C[S+](C)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100009452791 [0,0,0,0,1,0|3,0,0]=4 1495 B19R0.9205 C=C(C)CCOCC(=O)OCCCCCCCCCC 34a_100000764851_100000210668 [0,0,0,0,0,1|1,0,2]=4 1496 B19R0.9205 C=C(C)COCOC(=O)CCCCCCCCCCC 34a_100000210245_100020644155 [0,0,0,0,0,1|0,0,2]=3 1497 B19R0.9205 C=C(C)CSCOC(=O)CCCCCCCCCCC 62a_100000748629_100020644155 [0,0,0,0,0,1|0,0,2]=3 1498 B19R0.9205 C=C(F)COCOC(=O)CCCCCCCCCCC 34a_200010262243_100020644155 [0,0,0,0,0,1|1,0,2]=4 1499 B19R0.9205 C=C(F)CSCOC(=O)CCCCCCCCCCC 62a_100000042424_100020644155 [0,0,0,0,0,1|1,0,2]=4 1500 B19R0.9205 CC(C)CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100011933920 [0,0,0,0,0,1|3,0,0]=4 1501 B19R0.9205 CC(C)CCCNC(=O)CCCCCCCCCCO 240690a_200000737386_200000016029 [0,0,0,0,0,1|2,0,0]=3 1502 B19R0.9205 CC(C)CCCNC(=O)NCCCCCCCCCO 2708a_100000078944_200000737386 [0,0,0,0,0,1|3,0,0]=4 1503 B19R0.9205 CC(C)CCCNC(=O)NCCCCCCCCCO 2708a_200000737386_100000078944 [0,0,0,0,0,1|3,0,0]=4 1504 B19R0.9205 CC(C)CCCNC(=O)NCCCCCCCCCO 273464a_100000078944_200000737386 [0,0,0,0,0,1|3,0,0]=4 1505 B19R0.9205 CC(C)CCCNC(=O)NCCCCCCCCCO 273464a_200000737386_100000078944 [0,0,0,0,0,1|3,0,0]=4 1506 B19R0.9205 CC(C)CCCNC(=O)NCCCCCCCCCO 512a_100000078944_200000737386 [0,0,0,0,0,1|3,0,0]=4 1507 B19R0.9205 CC(C)CCCNC(=O)NCCCCCCCCCO 512a_200000737386_100000078944 [0,0,0,0,0,1|3,0,0]=4 1508 B19R0.9205 CC(C)OCCNC(=O)CCCCCCCCCCO 240690a_100000701111_200000016029 [0,0,0,0,0,1|2,0,0]=3 1509 B19R0.9205 CC(C)OCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000701111 [0,0,0,0,0,1|3,0,0]=4 1510 B19R0.9205 CC(C)OCCNC(=O)NCCCCCCCCCO 2708a_100000701111_100000078944 [0,0,0,0,0,1|3,0,0]=4 1511 B19R0.9205 CC(C)OCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000701111 [0,0,0,0,0,1|3,0,0]=4 1512 B19R0.9205 CC(C)OCCNC(=O)NCCCCCCCCCO 273464a_100000701111_100000078944 [0,0,0,0,0,1|3,0,0]=4 1513 B19R0.9205 CC(C)OCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000701111 [0,0,0,0,0,1|3,0,0]=4 1514 B19R0.9205 CC(C)OCCNC(=O)NCCCCCCCCCO 512a_100000701111_100000078944 [0,0,0,0,0,1|3,0,0]=4 1515 B19R0.9205 CC(C)SCCNC(=O)CCCCCCCCCCO 240690a_100000731138_200000016029 [0,0,0,0,0,1|2,0,0]=3 1516 B19R0.9205 CC(C)SCCNC(=O)NCCCCCCCCCO 2708a_100000078944_100000731138 [0,0,0,0,0,1|3,0,0]=4 1517 B19R0.9205 CC(C)SCCNC(=O)NCCCCCCCCCO 2708a_100000731138_100000078944 [0,0,0,0,0,1|3,0,0]=4 1518 B19R0.9205 CC(C)SCCNC(=O)NCCCCCCCCCO 273464a_100000078944_100000731138 [0,0,0,0,0,1|3,0,0]=4 1519 B19R0.9205 CC(C)SCCNC(=O)NCCCCCCCCCO 273464a_100000731138_100000078944 [0,0,0,0,0,1|3,0,0]=4 1520 B19R0.9205 CC(C)SCCNC(=O)NCCCCCCCCCO 512a_100000078944_100000731138 [0,0,0,0,0,1|3,0,0]=4 1521 B19R0.9205 CC(C)SCCNC(=O)NCCCCCCCCCO 512a_100000731138_100000078944 [0,0,0,0,0,1|3,0,0]=4 1522 B19R0.9205 CCCCCCCCCC=CC(=O)NCCCC(C)C 11a_200000737386_200015352897 [0,0,0,0,0,1|1,0,2]=4 1523 B19R0.9205 CCCCCCCCCC=CC(=O)NCCCC(C)C 1626a_200000737386_200015352897 [0,0,0,0,0,1|1,0,2]=4 1524 B19R0.9205 CCCCCCCCCC=CC(=O)NCCCC(C)C 240690a_200000737386_200015352897 [0,0,0,0,0,1|1,0,2]=4 1525 B19R0.9205 CCCCCCCCCC=CC(=O)NCCOC(C)C 11a_100000701111_200015352897 [0,0,0,0,0,1|1,0,2]=4 1526 B19R0.9205 CCCCCCCCCC=CC(=O)NCCOC(C)C 1626a_100000701111_200015352897 [0,0,0,0,0,1|1,0,2]=4 1527 B19R0.9205 CCCCCCCCCC=CC(=O)NCCOC(C)C 240690a_100000701111_200015352897 [0,0,0,0,0,1|1,0,2]=4 1528 B19R0.9205 CCCCCCCCCC=CC(=O)NCCSC(C)C 11a_100000731138_200015352897 [0,0,0,0,0,1|1,0,2]=4 1529 B19R0.9205 CCCCCCCCCC=CC(=O)NCCSC(C)C 1626a_100000731138_200015352897 [0,0,0,0,0,1|1,0,2]=4 1530 B19R0.9205 CCCCCCCCCC=CC(=O)NCCSC(C)C 240690a_100000731138_200015352897 [0,0,0,0,0,1|1,0,2]=4 1531 B19R0.9205 CCCCCCCCCCCC(=O)CCCNC(=O)C 1458a_100000194741_100011215454 [0,0,0,0,0,1|2,0,1]=4 1532 B19R0.9205 CCCCCCCCCCCC(=O)CCCOC(=O)C 1458a_100000210736_100000042594 [0,0,0,0,0,1|2,0,1]=4 1533 B19R0.9205 CCCCCCCCCCCC(=O)CCCOC(=S)C 1458a_100000210736_200135323944 [0,0,0,0,0,1|2,0,1]=4 1534 B19R0.9205 CCCCCCCCCCCC(=O)CCCSC(=O)C 1458a_100000210736_100000038929 [0,0,0,0,0,1|2,0,1]=4 1535 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 11a_200000737386_100000210736 [0,0,0,0,0,1|1,0,0]=2 1536 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210736 [0,0,0,0,0,1|1,0,0]=2 1537 B19R0.9205 CCCCCCCCCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210736 [0,0,0,0,0,1|1,0,0]=2 1538 B19R0.9205 CCCCCCCCCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210736 [0,0,0,0,0,1|2,0,0]=3 1539 B19R0.9205 CCCCCCCCCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210736 [0,0,0,0,0,1|3,0,0]=4 1540 B19R0.9205 CCCCCCCCCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210736 [0,0,0,0,0,1|3,0,0]=4 1541 B19R0.9205 CCCCCCCCCCCC(=O)NCCNC(=O)C 240690a_100000209853_100000210736 [0,0,0,0,0,1|2,0,1]=4 1542 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(=O)C 11a_100000724843_100000210736 [0,0,0,0,0,1|2,0,1]=4 1543 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(=O)C 240690a_100000724843_100000210736 [0,0,0,0,0,1|2,0,1]=4 1544 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 11a_100000701111_100000210736 [0,0,0,0,0,1|1,0,0]=2 1545 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 1626a_100000701111_100000210736 [0,0,0,0,0,1|1,0,0]=2 1546 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 240690a_100000701111_100000210736 [0,0,0,0,0,1|1,0,0]=2 1547 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 34a_100007860320_100000210206 [0,0,0,0,0,1|1,0,0]=2 1548 B19R0.9205 CCCCCCCCCCCC(=O)NCCOC(C)C 7a_100007860320_100000210206 [0,0,0,0,0,1|1,0,0]=2 1549 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(=O)C 11a_100020647217_100000210736 [0,0,0,0,0,1|2,0,1]=4 1550 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(=O)C 240690a_100020647217_100000210736 [0,0,0,0,0,1|2,0,1]=4 1551 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(C)C 11a_100000731138_100000210736 [0,0,0,0,0,1|1,0,0]=2 1552 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(C)C 1626a_100000731138_100000210736 [0,0,0,0,0,1|1,0,0]=2 1553 B19R0.9205 CCCCCCCCCCCC(=O)NCCSC(C)C 240690a_100000731138_100000210736 [0,0,0,0,0,1|1,0,0]=2 1554 B19R0.9205 CCCCCCCCCCCC(=O)NN=CCC(C)C 4a_200011219152_100000185833 [0,0,0,0,0,1|1,0,1]=3 1555 B19R0.9205 CCCCCCCCCCCC(=O)NNCCN(C)C 22a_100000738145_100000210736 [0,0,0,0,0,1|2,0,0]=3 1556 B19R0.9205 CCCCCCCCCCCC(=O)OCCNC(C)C 2230a_100138425928_100000091854 [0,0,0,0,0,1|0,0,0]=1 1557 B19R0.9205 CCCCCCCCCCCC(=O)OCCNC(C)C 34a_100138425928_100000091854 [0,0,0,0,0,1|0,0,0]=1 1558 B19R0.9205 CCCCCCCCCCCC(=O)OCCOC(C)C 34a_100000212225_100000091854 [0,0,0,0,0,1|0,0,0]=1 1559 B19R0.9205 CCCCCCCCCCCC(=O)OCCSC(C)C 62a_100000210206_100000091854 [0,0,0,0,0,1|0,0,0]=1 1560 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(=O)N 2230a_100000711301_100020644155 [0,0,0,0,0,1|2,0,1]=4 1561 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(=O)O 269956a_100016091260_100020644155 [0,0,0,0,0,1|2,0,1]=4 1562 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)C 2230a_100000210953_100020644155 [0,0,0,0,0,1|0,0,0]=1 1563 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)C 34a_100000210953_100020644155 [0,0,0,0,0,1|0,0,0]=1 1564 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)O 2230a_100000210904_100020644155 [0,0,0,0,0,1|1,0,0]=2 1565 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(C)O 34a_100000210904_100020644155 [0,0,0,0,0,1|1,0,0]=2 1566 B19R0.9205 CCCCCCCCCCCC(=O)OCNCC(F)F 34a_100000765723_100020644155 [0,0,0,0,0,1|2,0,0]=3 1567 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(=O)C 34a_100000211253_100020644155 [0,0,0,0,0,1|1,0,1]=3 1568 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(C)Br 34a_100012180447_100020644155 [0,0,0,0,0,1|1,0,0]=2 1569 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(C)C 34a_100000210257_100020644155 [0,0,0,0,0,1|0,0,0]=1 1570 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(C)F 34a_100015925927_100020644155 [0,0,0,0,0,1|1,0,0]=2 1571 B19R0.9205 CCCCCCCCCCCC(=O)OCOCC(F)F 34a_100000743014_100020644155 [0,0,0,0,0,1|2,0,0]=3 1572 B19R0.9205 CCCCCCCCCCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100020644155 [0,0,0,0,0,1|1,0,0]=2 1573 B19R0.9205 CCCCCCCCCCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100020644155 [0,0,0,0,0,1|1,0,0]=2 1574 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(=O)N 62a_100000747473_100020644155 [0,0,0,0,0,1|2,0,1]=4 1575 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(=O)[O-] 62a_100020667443_100020644155 [0,0,0,0,0,1|2,0,1]=4 1576 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(C)C 62a_100000210624_100020644155 [0,0,0,0,0,1|0,0,0]=1 1577 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(C)O 62a_100011218427_100020644155 [0,0,0,0,0,1|1,0,0]=2 1578 B19R0.9205 CCCCCCCCCCCC(=O)OCSCC(F)F 62a_100011934356_100020644155 [0,0,0,0,0,1|2,0,0]=3 1579 B19R0.9205 CCCCCCCCCCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100020644155 [0,0,0,0,0,1|1,0,0]=2 1580 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 11a_100000684558_100011933920 [0,0,0,0,0,1|2,0,0]=3 1581 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 1626a_100000684558_100011933920 [0,0,0,0,0,1|2,0,0]=3 1582 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 240690a_100000684558_100011933920 [0,0,0,0,0,1|2,0,0]=3 1583 B19R0.9205 CCCCCCCCCCNC(=O)CCCCC(C)C 527a_100000684558_100011933920 [0,0,0,0,0,1|2,0,0]=3 1584 B19R0.9205 CCCCCCCCCCNC(=O)CCCCN(C)C 11a_100000684558_100000751710 [0,0,0,0,0,1|3,0,0]=4 1585 B19R0.9205 CCCCCCCCCCNC(=O)CCCCN(C)C 240690a_100000684558_100000751710 [0,0,0,0,0,1|3,0,0]=4 1586 B19R0.9205 CCCCCCCCCCNC(=O)CCCCN(C)C 527a_100000684558_100000751710 [0,0,0,0,0,1|3,0,0]=4 1587 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 2708a_100000684558_200000737386 [0,0,0,0,0,1|2,0,0]=3 1588 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 2708a_200000737386_100000684558 [0,0,0,0,0,1|2,0,0]=3 1589 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 273464a_100000684558_200000737386 [0,0,0,0,0,1|2,0,0]=3 1590 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 273464a_200000737386_100000684558 [0,0,0,0,0,1|2,0,0]=3 1591 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 512a_100000684558_200000737386 [0,0,0,0,0,1|2,0,0]=3 1592 B19R0.9205 CCCCCCCCCCNC(=O)NCCCC(C)C 512a_200000737386_100000684558 [0,0,0,0,0,1|2,0,0]=3 1593 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 2708a_100000684558_102531767803 [0,0,0,0,0,1|3,0,0]=4 1594 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 273464a_100000684558_102531767803 [0,0,0,0,0,1|3,0,0]=4 1595 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 273464a_102531767803_100000684558 [0,0,0,0,0,1|3,0,0]=4 1596 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 512a_100000684558_102531767803 [0,0,0,0,0,1|3,0,0]=4 1597 B19R0.9205 CCCCCCCCCCNC(=O)NCCCN(C)C 512a_102531767803_100000684558 [0,0,0,0,0,1|3,0,0]=4 1598 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 2708a_100000684558_100000701111 [0,0,0,0,0,1|2,0,0]=3 1599 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 2708a_100000701111_100000684558 [0,0,0,0,0,1|2,0,0]=3 1600 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 273464a_100000684558_100000701111 [0,0,0,0,0,1|2,0,0]=3 1601 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 273464a_100000701111_100000684558 [0,0,0,0,0,1|2,0,0]=3 1602 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 512a_100000684558_100000701111 [0,0,0,0,0,1|2,0,0]=3 1603 B19R0.9205 CCCCCCCCCCNC(=O)NCCOC(C)C 512a_100000701111_100000684558 [0,0,0,0,0,1|2,0,0]=3 1604 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 2708a_100000684558_100000731138 [0,0,0,0,0,1|2,0,0]=3 1605 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 2708a_100000731138_100000684558 [0,0,0,0,0,1|2,0,0]=3 1606 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 273464a_100000684558_100000731138 [0,0,0,0,0,1|2,0,0]=3 1607 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 273464a_100000731138_100000684558 [0,0,0,0,0,1|2,0,0]=3 1608 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 512a_100000684558_100000731138 [0,0,0,0,0,1|2,0,0]=3 1609 B19R0.9205 CCCCCCCCCCNC(=O)NCCSC(C)C 512a_100000731138_100000684558 [0,0,0,0,0,1|2,0,0]=3 1610 B19R0.9205 CCCCCCCCCCNC(=O)NNCCN(C)C 273464a_100000684558_100000738145 [0,0,0,0,0,1|3,0,0]=4 1611 B19R0.9205 CCCCCCCCCCNC(=O)NNCCN(C)C 512a_100000684558_100000738145 [0,0,0,0,0,1|3,0,0]=4 1612 B19R0.9205 CCCCCCCCCCOC(=O)CNCCC(C)O 2230a_200000755665_100000210668 [0,0,0,0,0,1|3,0,0]=4 1613 B19R0.9205 CCCCCCCCCCOC(=O)COCC=C(C)C 34a_100000753907_100000210668 [0,0,0,0,0,1|1,0,2]=4 1614 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)C 34a_100000759926_100000210668 [0,0,0,0,0,1|2,0,1]=4 1615 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(=O)C 7a_100000759926_100000210668 [0,0,0,0,0,1|2,0,1]=4 1616 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(C)Br 34a_100009893172_100000210668 [0,0,0,0,0,1|2,0,0]=3 1617 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(C)C 34a_100000210254_100000210668 [0,0,0,0,0,1|1,0,0]=2 1618 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(C)C 7a_100000210254_100000210668 [0,0,0,0,0,1|1,0,0]=2 1619 B19R0.9205 CCCCCCCCCCOC(=O)COCCC(F)F 34a_100103093639_100000210668 [0,0,0,0,0,1|3,0,0]=4 1620 B19R0.9205 CCCCCCCCCCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000210668 [0,0,0,0,0,1|2,0,0]=3 1621 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)C 62a_100000210312_100000680656 [0,0,0,0,0,1|1,1,0]=3 1622 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)C 62a_100000680656_100000210312 [0,0,0,0,0,1|1,1,0]=3 1623 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)O 62a_100000680656_100012276601 [0,0,0,0,0,1|2,1,0]=4 1624 B19R0.9205 CCCCCCCCCCOC(=O)CSCCC(C)O 62a_100012276601_100000680656 [0,0,0,0,0,1|2,1,0]=4 1625 B19R0.9205 CCCCCCCCCCOC(=O)CSCCN(C)C 62a_100000680656_100000755713 [0,0,0,0,0,1|2,1,0]=4 1626 B19R0.9205 CCCCCCCCCCOC(=O)CSCOC(C)C 62a_100000680656_100000709892 [0,0,0,0,0,1|2,1,0]=4 1627 B19R0.9205 CCCCCCCCCCOC(=O)CSCOC(C)C 62a_100000709892_100000680656 [0,0,0,0,0,1|2,1,0]=4 1628 B19R0.9205 CN(C)CCCNC(=O)CCCCCCCCCCO 240690a_102531767803_200000016029 [0,0,0,0,0,1|3,0,0]=4 1629 B19R0.9205 CN(C)CCNNC(=O)CCCCCCCCCCO 22a_100000738145_200000016029 [0,0,0,0,0,1|3,0,0]=4 1630 B16R0.68 CCCC#CC(=O)CCCCCCCCCC 1458a_200011218047_100000210319 [2,0,0,0,0,0|1,0,1]=4 1631 B16R0.68 CCCC=CC(=O)CCCCCCCCCC 1458a_100000212230_100000210319 [2,0,0,0,0,0|1,0,1]=4 1632 B16R0.68 CCCCCC(=O)CCCCCCCCCF 1458a_200009909015_100000210326 [2,0,0,0,0,0|2,0,0]=4 1633 B16R0.68 CCCCCC(=O)CCCCCCCCCO 1458a_100000212188_100009813782 [2,0,0,0,0,0|2,0,0]=4 1634 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [2,0,0,0,0,0|1,0,0]=3 1635 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [2,0,0,0,0,0|1,0,0]=3 1636 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [2,0,0,0,0,0|2,0,0]=4 1637 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000210375_100000210776 [2,0,0,0,0,0|2,0,0]=4 1638 B16R0.68 CCCCCCCCCCC(=O)CCCCO 1458a_100000695505_100000210319 [2,0,0,0,0,0|2,0,0]=4 1639 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000210375_100000740836 [2,0,0,0,0,0|2,0,0]=4 1640 B16R0.68 CCCCCCCCCCC(=O)CCCOC 1458a_100000741012_100000210319 [2,0,0,0,0,0|2,0,0]=4 1641 B16R0.68 CCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100000210319 [2,0,0,0,0,0|2,0,0]=4 1642 B16R0.68 CCCCCCCCCCC(=O)CCOCC 1458a_100000210375_100011215890 [2,0,0,0,0,0|2,0,0]=4 1643 B16R0.68 CCCCCCCCCCC(=O)CCOCC 1458a_100000749530_100000210319 [2,0,0,0,0,0|2,0,0]=4 1644 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000210375_100000757381 [2,0,0,0,0,0|2,0,0]=4 1645 B16R0.68 CCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100000210319 [2,0,0,0,0,0|2,0,0]=4 1646 B16R0.68 CCCCCCCCCCC(=O)COCCC 1458a_100000745993_100000210319 [2,0,0,0,0,0|2,0,0]=4 1647 B16R0.68 CCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100000210319 [2,0,0,0,0,0|2,0,0]=4 1648 B16R0.68 CCCCCCCCCCC(=O)NCCCC 11a_100000102301_100000210375 [2,0,0,0,0,0|1,0,0]=3 1649 B16R0.68 CCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100000210375 [2,0,0,0,0,0|1,0,0]=3 1650 B16R0.68 CCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100000210375 [2,0,0,0,0,0|1,0,0]=3 1651 B16R0.68 CCCCCCCCCCC(=O)NCCCF 11a_100015189416_100000210375 [2,0,0,0,0,0|2,0,0]=4 1652 B16R0.68 CCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100000210375 [2,0,0,0,0,0|2,0,0]=4 1653 B16R0.68 CCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100000210375 [2,0,0,0,0,0|2,0,0]=4 1654 B16R0.68 CCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100000210375 [2,0,0,0,0,0|2,0,0]=4 1655 B16R0.68 CCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100000210375 [2,0,0,0,0,0|2,0,0]=4 1656 B16R0.68 CCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100000210375 [2,0,0,0,0,0|2,0,0]=4 1657 B16R0.68 CCCCCCCCCCC(=O)NCCSC 11a_100020590264_100000210375 [2,0,0,0,0,0|2,0,0]=4 1658 B16R0.68 CCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100000210375 [2,0,0,0,0,0|2,0,0]=4 1659 B16R0.68 CCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100000210375 [2,0,0,0,0,0|2,0,0]=4 1660 B16R0.68 CCCCCCCCCCC(=O)NNCCC 22a_100000740057_100000210375 [2,0,0,0,0,0|2,0,0]=4 1661 B16R0.68 CCCCCCCCCCC(C)OCCCC 34a_100011215000_100000210210 [2,0,0,0,0,0|1,0,1]=4 1662 B16R0.68 CCCCCCCCCCC(C)OCCCC 7a_100011215000_100000210211 [2,0,0,0,0,0|1,0,1]=4 1663 B16R0.68 CCCCCCCCCNC(=O)CCCCC 11a_100000212291_100000212188 [2,0,0,0,0,0|2,0,0]=4 1664 B16R0.68 CCCCCCCCCNC(=O)CCCCC 1626a_100000212291_100000212188 [2,0,0,0,0,0|2,0,0]=4 1665 B16R0.68 CCCCCCCCCNC(=O)CCCCC 240690a_100000212291_100000212188 [2,0,0,0,0,0|2,0,0]=4 1666 B16R0.68 CCCCCCCCCNC(=O)CCCCC 527a_100000212291_100000212188 [2,0,0,0,0,0|2,0,0]=4 1667 B16R0.68 CCCCCCCCCNC(=O)NCCCC 2708a_100000102301_100000212291 [2,0,0,0,0,0|2,0,0]=4 1668 B16R0.68 CCCCCCCCCNC(=O)NCCCC 2708a_100000212291_100000102301 [2,0,0,0,0,0|2,0,0]=4 1669 B16R0.68 CCCCCCCCCNC(=O)NCCCC 273464a_100000102301_100000212291 [2,0,0,0,0,0|2,0,0]=4 1670 B16R0.68 CCCCCCCCCNC(=O)NCCCC 273464a_100000212291_100000102301 [2,0,0,0,0,0|2,0,0]=4 1671 B16R0.68 CCCCCCCCCNC(=O)NCCCC 512a_100000102301_100000212291 [2,0,0,0,0,0|2,0,0]=4 1672 B16R0.68 CCCCCCCCCNC(=O)NCCCC 512a_100000212291_100000102301 [2,0,0,0,0,0|2,0,0]=4 1673 B16R0.68 CCCCCCCCNCC(=O)CCCCC 2230a_100000229939_200012276598 [2,0,0,0,0,0|2,0,0]=4 1674 B16R0.68 CCCCCCCCNCC(=O)CCCCC 34a_100000229939_200012276598 [2,0,0,0,0,0|2,0,0]=4 1675 B16R0.68 CCCCCCCCNCC(=O)NCCCC 2230a_100000229939_100000182744 [2,0,0,0,0,0|2,0,0]=4 1676 B16R0.68 CCCCCCCCNCC(=O)NCCCC 34a_100000229939_100000182744 [2,0,0,0,0,0|2,0,0]=4 1677 B16R0.68 CCCCCCCCNCC(=O)OCCCC 2230a_100000229939_100000211628 [2,0,0,0,0,0|1,0,0]=3 1678 B16R0.68 CCCCCCCCNCC(=O)OCCCC 34a_100000229939_100000211628 [2,0,0,0,0,0|1,0,0]=3 1679 B16R0.68 CCCCCCCCNCC(=O)OCCOC 2230a_100000229939_200000040189 [2,0,0,0,0,0|2,0,0]=4 1680 B16R0.68 CCCCCCCCNCC(=O)OCCOC 34a_100000229939_200000040189 [2,0,0,0,0,0|2,0,0]=4 1681 B16R0.68 CCCCCCCCOCC(=O)CCCCC 1458a_100000759886_100000210326 [2,0,0,0,0,0|2,0,0]=4 1682 B16R0.68 CCCCCCCCOCC(=O)CCCCC 34a_100000210232_200012276598 [2,0,0,0,0,0|2,0,0]=4 1683 B16R0.68 CCCCCCCCOCC(=O)CCCCC 7a_100000210232_200012276598 [2,0,0,0,0,0|2,0,0]=4 1684 B16R0.68 CCCCCCCCOCC(=O)NCCCC 11a_100000102301_100000759886 [2,0,0,0,0,0|2,0,0]=4 1685 B16R0.68 CCCCCCCCOCC(=O)NCCCC 1626a_100000102301_100000759886 [2,0,0,0,0,0|2,0,0]=4 1686 B16R0.68 CCCCCCCCOCC(=O)NCCCC 240690a_100000102301_100000759886 [2,0,0,0,0,0|2,0,0]=4 1687 B16R0.68 CCCCCCCCOCC(=O)NCCCC 34a_100000210232_100000182744 [2,0,0,0,0,0|2,0,0]=4 1688 B16R0.68 CCCCCCCCOCC(=O)NCCCC 527a_100000102301_100000759886 [2,0,0,0,0,0|2,0,0]=4 1689 B16R0.68 CCCCCCCCOCC(=O)NCCCC 7a_100000210232_100000182744 [2,0,0,0,0,0|2,0,0]=4 1690 B16R0.68 CCCCCCCCOCC(=O)OCCCC 34a_100000210232_100000211628 [2,0,0,0,0,0|1,0,0]=3 1691 B16R0.68 CCCCCCCCOCC(=O)OCCCC 7a_100000210232_100000211628 [2,0,0,0,0,0|1,0,0]=3 1692 B16R0.68 CCCCCCCCOCC(=O)OCCOC 34a_100000210232_200000040189 [2,0,0,0,0,0|2,0,0]=4 1693 B16R0.68 CCCCCCCCOCC(=O)OCCOC 7a_100000210232_200000040189 [2,0,0,0,0,0|2,0,0]=4 1694 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_100000210759_200012276598 [2,0,0,0,0,0|2,0,0]=4 1695 B16R0.68 CCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210317 [2,0,0,0,0,0|2,0,0]=4 1696 B16R0.68 CCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210317 [2,0,0,0,0,0|2,0,0]=4 1697 B16R0.68 CCCCCCCCSCC(=O)NCCCC 62a_100000210759_100000182744 [2,0,0,0,0,0|2,0,0]=4 1698 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000210759_100000211628 [2,0,0,0,0,0|1,0,0]=3 1699 B16R0.68 CCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210317 [2,0,0,0,0,0|1,0,0]=3 1700 B16R0.68 CCCCCCCCSCC(=O)OCCOC 62a_100000210759_200000040189 [2,0,0,0,0,0|2,0,0]=4 1701 B16R0.68 CCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210317 [2,0,0,0,0,0|2,0,0]=4 1702 B16R0.68 CCCCCNCCOCC(=O)OCCCC 34a_100000224656_100000211628 [2,0,0,0,0,0|2,0,0]=4 1703 B16R0.68 CCCCCOCCOCC(=O)OCCCC 34a_100011215259_100000211628 [2,0,0,0,0,0|2,0,0]=4 1704 B16R0.68 CCCCCOCCOCC(=O)OCCCC 7a_100011215259_100000211628 [2,0,0,0,0,0|2,0,0]=4 1705 B16R0.68 CCCCNC(=O)CCCCCCCCCF 11a_100000102301_200009909015 [2,0,0,0,0,0|2,0,0]=4 1706 B16R0.68 CCCCNC(=O)CCCCCCCCCF 240690a_100000102301_200009909015 [2,0,0,0,0,0|2,0,0]=4 1707 B16R0.68 CCCCNC(=O)CCCCCCCCCF 527a_100000102301_200009909015 [2,0,0,0,0,0|2,0,0]=4 1708 B16R0.68 CCCCNC(=O)CCCCCCCCCO 240690a_100000102301_100000032657 [2,0,0,0,0,0|2,0,0]=4 1709 B16R0.68 CCCCOC(=O)CNCCCCCCCO 2230a_100011996573_100000211628 [2,0,0,0,0,0|2,0,0]=4 1710 B16R0.68 CCCCOC(=O)CNCCCCCCCO 34a_100011996573_100000211628 [2,0,0,0,0,0|2,0,0]=4 1711 B16R0.68 CCCCOC(=O)COCCCCCCCBr 34a_100000760002_100000211628 [2,0,0,0,0,0|2,0,0]=4 1712 B16R0.68 CCCCOC(=O)COCCCCCCCBr 7a_100000760002_100000211628 [2,0,0,0,0,0|2,0,0]=4 1713 B16R0.68 CCCCOC(=O)COCCCCCCCN 34a_100011996573_100000211628 [2,0,0,0,0,0|2,0,0]=4 1714 B16R0.68 CCCCOC(=O)COCCCCCCOC 34a_200012092642_100000211628 [2,0,0,0,0,0|2,0,0]=4 1715 B16R0.68 CCCCOC(=O)COCCCCCCOC 7a_200012092642_100000211628 [2,0,0,0,0,0|2,0,0]=4 1716 B16R0.68 CCCCOC(=O)CSCCCCCCCO 62a_100000211628_100000760002 [2,0,0,0,0,0|2,0,0]=4 1717 B16R0.68 CCCCOC(=O)CSCCCCCCCO 62a_100000760002_100000211628 [2,0,0,0,0,0|2,0,0]=4 1718 B16R0.68 CCCCOC(=O)CSCCCCCCOC 62a_100000211628_100011998445 [2,0,0,0,0,0|2,0,0]=4 1719 B16R0.68 CCCCOC(=O)CSCCCCCCOC 62a_100011998445_100000211628 [2,0,0,0,0,0|2,0,0]=4 1720 B16R0.68 CCCCOCCCNCC(=O)OCCCC 2230a_200000211371_100000211628 [2,0,0,0,0,0|2,0,0]=4 1721 B16R0.68 CCCCOCCCNCC(=O)OCCCC 34a_200000211371_100000211628 [2,0,0,0,0,0|2,0,0]=4 1722 B16R0.68 CCCCOCCCOCC(=O)OCCCC 34a_200011215613_100000211628 [2,0,0,0,0,0|2,0,0]=4 1723 B16R0.68 CCCCOCCCOCC(=O)OCCCC 7a_200011215613_100000211628 [2,0,0,0,0,0|2,0,0]=4 1724 B16R0.274 C#CCCCCCCCCCOCCC(C)C 34a_100000034437_100000210312 [2,0,0,0,0,0|0,0,2]=4 1725 B16R0.274 C#CCCCCCCCCCOCCC(C)C 7a_100000034437_100000210626 [2,0,0,0,0,0|0,0,2]=4 1726 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000210809_100000730704 [2,0,0,0,0,0|0,0,2]=4 1727 B16R0.274 C=C(C)CCOCCCCCCCCCCC 34a_100000764851_100011215454 [2,0,0,0,0,0|0,0,2]=4 1728 B16R0.274 C=C(C)CCOCCCCCCCCCCC 7a_100000210809_100000730704 [2,0,0,0,0,0|0,0,2]=4 1729 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000038209_100000210312 [2,0,0,0,0,0|0,0,2]=4 1730 B16R0.274 C=CCCCCCCCCCOCCC(C)C 34a_100000210254_100009814027 [2,0,0,0,0,0|0,0,2]=4 1731 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000038209_100000210626 [2,0,0,0,0,0|0,0,2]=4 1732 B16R0.274 C=CCCCCCCCCCOCCC(C)C 7a_100000210254_100009814027 [2,0,0,0,0,0|0,0,2]=4 1733 B16R0.274 CC(Br)CCOCCCCCCCCCCO 34a_100009893172_100009813290 [2,0,0,0,0,0|2,0,0]=4 1734 B16R0.274 CC(C)CCNCCCCCCCCCCO 2230a_100000066964_100000210312 [2,0,0,0,0,0|2,0,0]=4 1735 B16R0.274 CC(C)CCNCCCCCCCCCCO 269862a_100000066964_100000185833 [2,0,0,0,0,0|2,0,0]=4 1736 B16R0.274 CC(C)CCNCCCCCCCCCCO 34a_100000066964_100000210312 [2,0,0,0,0,0|2,0,0]=4 1737 B16R0.274 CC(C)CCOCCCCCCCCCCBr 34a_100009813290_100000210312 [2,0,0,0,0,0|1,0,0]=3 1738 B16R0.274 CC(C)CCOCCCCCCCCCCBr 7a_100009813290_100000210626 [2,0,0,0,0,0|1,0,0]=3 1739 B16R0.274 CC(C)CCOCCCCCCCCCCCl 34a_200000033068_100000210312 [2,0,0,0,0,0|1,0,0]=3 1740 B16R0.274 CC(C)CCOCCCCCCCCCCCl 7a_200000033068_100000210626 [2,0,0,0,0,0|1,0,0]=3 1741 B16R0.274 CC(C)CCOCCCCCCCCCCN 34a_100000066964_100000210312 [2,0,0,0,0,0|1,0,0]=3 1742 B16R0.274 CC(C)CCOCCCCCCCCCCO 34a_100000210254_100009813290 [2,0,0,0,0,0|1,0,0]=3 1743 B16R0.274 CC(C)CCOCCCCCCCCCCO 7a_100000210254_100009813290 [2,0,0,0,0,0|1,0,0]=3 1744 B16R0.274 CC(C)CCSCCCCCCCCCCO 62a_100000210312_200000033068 [2,0,0,0,0,0|1,1,0]=4 1745 B16R0.274 CC(C)CCSCCCCCCCCCCO 62a_100009813290_100000210312 [2,0,0,0,0,0|1,1,0]=4 1746 B16R0.274 CC(C)COCCCCCCCCCCCBr 34a_100009812471_100000210624 [2,0,0,0,0,0|1,0,1]=4 1747 B16R0.274 CC(C)COCCCCCCCCCCCBr 7a_100009812471_100000210760 [2,0,0,0,0,0|1,0,1]=4 1748 B16R0.274 CC(C)COCCCCCCCCCCCO 34a_100000210257_100009812471 [2,0,0,0,0,0|1,0,1]=4 1749 B16R0.274 CC(C)OCOCCCCCCCCCCBr 34a_100009813290_100000709892 [2,0,0,0,0,0|2,0,0]=4 1750 B16R0.274 CC(C)OCOCCCCCCCCCCCl 34a_200000033068_100000709892 [2,0,0,0,0,0|2,0,0]=4 1751 B16R0.274 CC(C)OCOCCCCCCCCCCN 34a_100000066964_100000709892 [2,0,0,0,0,0|2,0,0]=4 1752 B16R0.274 CC(O)CCOCCCCCCCCCCBr 34a_100009813290_100012276601 [2,0,0,0,0,0|2,0,0]=4 1753 B16R0.274 CC(O)CCOCCCCCCCCCCBr 7a_100009813290_100012276601 [2,0,0,0,0,0|2,0,0]=4 1754 B16R0.274 CC(O)CCOCCCCCCCCCCCl 34a_200000033068_100012276601 [2,0,0,0,0,0|2,0,0]=4 1755 B16R0.274 CC(O)CCOCCCCCCCCCCCl 7a_200000033068_100012276601 [2,0,0,0,0,0|2,0,0]=4 1756 B16R0.274 CC(O)CCOCCCCCCCCCCN 34a_100000066964_100012276601 [2,0,0,0,0,0|2,0,0]=4 1757 B16R0.274 CCCCCCCC/C=C/COCCC(C)C 34a_200020667288_100000210312 [2,0,0,0,0,0|0,0,2]=4 1758 B16R0.274 CCCCCCCC/C=C/COCCC(C)C 7a_200020667288_100000210626 [2,0,0,0,0,0|0,0,2]=4 1759 B16R0.274 CCCCCCCCCC/C=C/COC(C)C 34a_200025761149_100000210206 [2,0,0,0,0,0|1,0,1]=4 1760 B16R0.274 CCCCCCCCCC/C=C/COC(C)C 7a_200025761149_100000210206 [2,0,0,0,0,0|1,0,1]=4 1761 B16R0.274 CCCCCCCCCCCC=NNC(C)C 4a_100000741168_100011218549 [2,0,0,0,0,0|2,0,0]=4 1762 B16R0.274 CCCCCCCCCCCCCCN(C)C 2230a_100102631434_100011215471 [2,0,0,0,0,0|1,0,1]=4 1763 B16R0.274 CCCCCCCCCCCCCCN(C)C 269982a_100102631434_100011215471 [2,0,0,0,0,0|1,0,1]=4 1764 B16R0.274 CCCCCCCCCCCCCCN(C)C 270004a_100102631434_200011216147 [2,0,0,0,0,0|1,0,1]=4 1765 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100011215765_100000210206 [2,0,0,0,0,0|1,0,1]=4 1766 B16R0.274 CCCCCCCCCCCCCNC(C)C 2230a_100138425928_100000210684 [2,0,0,0,0,0|1,0,1]=4 1767 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100011215765_100000210206 [2,0,0,0,0,0|1,0,1]=4 1768 B16R0.274 CCCCCCCCCCCCCNC(C)C 34a_100138425928_100000210684 [2,0,0,0,0,0|1,0,1]=4 1769 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000185773_100000210206 [2,0,0,0,0,0|1,0,1]=4 1770 B16R0.274 CCCCCCCCCCCCCOC(C)C 34a_100000212225_100000210684 [2,0,0,0,0,0|1,0,1]=4 1771 B16R0.274 CCCCCCCCCCCCCOC(C)C 7a_100000185773_100000210206 [2,0,0,0,0,0|1,0,1]=4 1772 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210451_100000210760 [2,0,0,0,0,0|1,0,1]=4 1773 B16R0.274 CCCCCCCCCCCCNCC(C)C 2230a_100000210953_100011215052 [2,0,0,0,0,0|1,0,1]=4 1774 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210451_100000210432 [2,0,0,0,0,0|1,0,1]=4 1775 B16R0.274 CCCCCCCCCCCCNCC(C)C 270004a_100000210953_100011218549 [2,0,0,0,0,0|1,0,1]=4 1776 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210451_100000210624 [2,0,0,0,0,0|1,0,1]=4 1777 B16R0.274 CCCCCCCCCCCCNCC(C)C 34a_100000210953_100000759014 [2,0,0,0,0,0|1,0,1]=4 1778 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [2,0,0,0,0,0|1,0,1]=4 1779 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [2,0,0,0,0,0|0,0,1]=3 1780 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [2,0,0,0,0,0|0,0,1]=3 1781 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [2,0,0,0,0,0|0,0,1]=3 1782 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [2,0,0,0,0,0|1,0,1]=4 1783 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [2,0,0,0,0,0|1,0,1]=4 1784 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [2,0,0,0,0,0|1,0,1]=4 1785 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [2,0,0,0,0,0|1,0,1]=4 1786 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)N 34a_100000737577_100000759014 [2,0,0,0,0,0|1,0,1]=4 1787 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [2,0,0,0,0,0|1,0,1]=4 1788 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [2,0,0,0,0,0|1,0,1]=4 1789 B16R0.274 CCCCCCCCCCCNCCC(C)C 2230a_200011215754_100000210312 [2,0,0,0,0,0|1,0,0]=3 1790 B16R0.274 CCCCCCCCCCCNCCC(C)C 269862a_200011215754_100000185833 [2,0,0,0,0,0|1,0,0]=3 1791 B16R0.274 CCCCCCCCCCCNCCC(C)C 34a_200011215754_100000210312 [2,0,0,0,0,0|1,0,0]=3 1792 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [2,0,0,0,0,0|2,0,0]=4 1793 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [2,0,0,0,0,0|2,0,0]=4 1794 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [2,0,0,0,0,0|2,0,0]=4 1795 B16R0.274 CCCCCCCCCCCNCOC(C)C 2230a_200011215754_100000709892 [2,0,0,0,0,0|2,0,0]=4 1796 B16R0.274 CCCCCCCCCCCNCOC(C)C 34a_200011215754_100000709892 [2,0,0,0,0,0|2,0,0]=4 1797 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000210809_100000761012 [2,0,0,0,0,0|0,0,2]=4 1798 B16R0.274 CCCCCCCCCCCOCC=C(C)C 34a_100000753907_100011215454 [2,0,0,0,0,0|0,0,2]=4 1799 B16R0.274 CCCCCCCCCCCOCC=C(C)C 7a_100000210809_100000761012 [2,0,0,0,0,0|0,0,2]=4 1800 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [2,0,0,0,0,0|1,0,1]=4 1801 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [2,0,0,0,0,0|1,0,1]=4 1802 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [2,0,0,0,0,0|1,0,1]=4 1803 B16R0.274 CCCCCCCCCCCOCCC(C)Br 34a_100009893172_100011215454 [2,0,0,0,0,0|1,0,0]=3 1804 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210254_100011215454 [2,0,0,0,0,0|0,0,0]=2 1805 B16R0.274 CCCCCCCCCCCOCCC(C)C 34a_100000210809_100000210312 [2,0,0,0,0,0|0,0,0]=2 1806 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210254_100011215454 [2,0,0,0,0,0|0,0,0]=2 1807 B16R0.274 CCCCCCCCCCCOCCC(C)C 7a_100000210809_100000210626 [2,0,0,0,0,0|0,0,0]=2 1808 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [2,0,0,0,0,0|1,0,0]=3 1809 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [2,0,0,0,0,0|1,0,0]=3 1810 B16R0.274 CCCCCCCCCCCOCCC(F)F 34a_100103093639_100011215454 [2,0,0,0,0,0|2,0,0]=4 1811 B16R0.274 CCCCCCCCCCCOCCN(C)C 7a_100000210809_100000755713 [2,0,0,0,0,0|1,0,0]=3 1812 B16R0.274 CCCCCCCCCCCOCC[C@@H](C)N 34a_100000706166_100011215454 [2,0,0,0,0,0|1,0,0]=3 1813 B16R0.274 CCCCCCCCCCCOCOC(C)C 34a_100000210809_100000709892 [2,0,0,0,0,0|1,0,0]=3 1814 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [2,0,0,0,0,0|1,1,0]=4 1815 B16R0.274 CCCCCCCCCCCSCOC(C)C 62a_100000709892_100011215454 [2,0,0,0,0,0|1,1,0]=4 1816 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_100000684558_100011214892 [2,0,0,0,0,0|1,0,1]=4 1817 B16R0.274 CCCCCCCCCCNCCCC(C)C 2230a_200000737386_100000210320 [2,0,0,0,0,0|1,0,1]=4 1818 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_100000684558_100011214892 [2,0,0,0,0,0|1,0,1]=4 1819 B16R0.274 CCCCCCCCCCNCCCC(C)C 34a_200000737386_100000210320 [2,0,0,0,0,0|1,0,1]=4 1820 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210711_100011214892 [2,0,0,0,0,0|1,0,1]=4 1821 B16R0.274 CCCCCCCCCCOCCCC(C)C 34a_100000210774_100000210320 [2,0,0,0,0,0|1,0,1]=4 1822 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210711_100011214892 [2,0,0,0,0,0|1,0,1]=4 1823 B16R0.274 CCCCCCCCCCOCCCC(C)C 7a_100000210774_100000210320 [2,0,0,0,0,0|1,0,1]=4 1824 B16R0.274 CCCCCCCCCNCCCCC(C)C 2230a_100000212291_100011216152 [2,0,0,0,0,0|1,0,1]=4 1825 B16R0.274 CCCCCCCCCNCCCCC(C)C 34a_100000212291_100011216152 [2,0,0,0,0,0|1,0,1]=4 1826 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100000210712_100011216152 [2,0,0,0,0,0|1,0,1]=4 1827 B16R0.274 CCCCCCCCCOCCCCC(C)C 34a_100011214890_100011214924 [2,0,0,0,0,0|1,0,1]=4 1828 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100000210712_100011216152 [2,0,0,0,0,0|1,0,1]=4 1829 B16R0.274 CCCCCCCCCOCCCCC(C)C 7a_100011214890_100000210328 [2,0,0,0,0,0|1,0,1]=4 1830 B16R0.274 CCCCCCCCCOCCOCC(C)C 34a_100000703358_100011214924 [2,0,0,0,0,0|1,0,1]=4 1831 B16R0.274 CCCCCCCCCOCCOCC(C)C 7a_100000703358_100000210328 [2,0,0,0,0,0|1,0,1]=4 1832 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100000229939_100000210682 [2,0,0,0,0,0|1,0,1]=4 1833 B16R0.274 CCCCCCCCNCCCCCC(C)C 2230a_100011290863_100000210759 [2,0,0,0,0,0|1,0,1]=4 1834 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100000229939_100000210682 [2,0,0,0,0,0|1,0,1]=4 1835 B16R0.274 CCCCCCCCNCCCCCC(C)C 34a_100011290863_100000210759 [2,0,0,0,0,0|1,0,1]=4 1836 B16R0.274 CCCCCCCCNCCCOCC(C)C 2230a_100000205972_100000210759 [2,0,0,0,0,0|1,0,1]=4 1837 B16R0.274 CCCCCCCCNCCCOCC(C)C 34a_100000205972_100000210759 [2,0,0,0,0,0|1,0,1]=4 1838 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100000210232_100000210682 [2,0,0,0,0,0|1,0,1]=4 1839 B16R0.274 CCCCCCCCOCCCCCC(C)C 34a_100011995859_100000210759 [2,0,0,0,0,0|1,0,1]=4 1840 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100000210232_100000210682 [2,0,0,0,0,0|1,0,1]=4 1841 B16R0.274 CCCCCCCCOCCCCCC(C)C 7a_100011995859_100000210759 [2,0,0,0,0,0|1,0,1]=4 1842 B16R0.274 CCCCCCCNCCCCCCC(C)C 2230a_100000211014_100000210681 [2,0,0,0,0,0|1,0,1]=4 1843 B16R0.274 CCCCCCCNCCCCCCC(C)C 34a_100000211014_100000210614 [2,0,0,0,0,0|1,0,1]=4 1844 B16R0.274 CCCCCCOCCCCCCCC(C)C 34a_200000210741_100000210314 [2,0,0,0,0,0|1,0,1]=4 1845 B16R0.274 CCCCCCOCCCCCCCC(C)C 7a_200000210741_100000210314 [2,0,0,0,0,0|1,0,1]=4 1846 B16R0.274 CCOCCCCCCCCCOCC(C)C 34a_100009875440_100000210624 [2,0,0,0,0,0|1,0,1]=4 1847 B16R0.274 CCOCCCCCCCCCOCC(C)C 7a_100009875440_100000210760 [2,0,0,0,0,0|1,0,1]=4 1848 B16R0.274 CN(C)CCOCCCCCCCCCCBr 7a_100009813290_100000755713 [2,0,0,0,0,0|2,0,0]=4 1849 B16R0.274 CN(C)CCOCCCCCCCCCCCl 7a_200000033068_100000755713 [2,0,0,0,0,0|2,0,0]=4 1850 B16R0.274 C[C@@H](N)CCOCCCCCCCCCCO 34a_100000706166_100009813290 [2,0,0,0,0,0|2,0,0]=4 1851 B16R0.297 CC(C)CCCC(=O)CCCCCCCCO 1458a_100011216857_100000033203 [2,0,0,0,0,0|2,0,0]=4 1852 B16R0.297 CC(C)CCNC(=O)CCCCCCCCO 240690a_100000210545_100000015970 [2,0,0,0,0,0|2,0,0]=4 1853 B16R0.297 CCCCCCCCCC(=O)CCCC(C)C 1458a_100000210558_100011214892 [2,0,0,0,0,0|1,0,0]=3 1854 B16R0.297 CCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210670 [2,0,0,0,0,0|1,0,0]=3 1855 B16R0.297 CCCCCCCCCC(=O)CCCC(C)O 1458a_100000210558_200000718107 [2,0,0,0,0,0|2,0,0]=4 1856 B16R0.297 CCCCCCCCCC(=O)CCCN(C)C 1458a_100000210558_100000695564 [2,0,0,0,0,0|2,0,0]=4 1857 B16R0.297 CCCCCCCCCC(=O)CCOC(C)C 1458a_100000210558_100000211751 [2,0,0,0,0,0|2,0,0]=4 1858 B16R0.297 CCCCCCCCCC(=O)CCSC(C)C 1458a_100000210558_100000730970 [2,0,0,0,0,0|2,0,0]=4 1859 B16R0.297 CCCCCCCCCC(=O)COCC(C)C 1458a_100011223364_100000210670 [2,0,0,0,0,0|2,0,0]=4 1860 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210558 [2,0,0,0,0,0|1,0,0]=3 1861 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210558 [2,0,0,0,0,0|1,0,0]=3 1862 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210558 [2,0,0,0,0,0|1,0,0]=3 1863 B16R0.297 CCCCCCCCCC(=O)NCCC(C)C 527a_100000210545_100000210558 [2,0,0,0,0,0|1,0,0]=3 1864 B16R0.297 CCCCCCCCCC(=O)NCCC(C)O 240690a_200000755665_100000210558 [2,0,0,0,0,0|2,0,0]=4 1865 B16R0.297 CCCCCCCCCC(=O)NCCC(C)O 527a_200000755665_100000210558 [2,0,0,0,0,0|2,0,0]=4 1866 B16R0.297 CCCCCCCCCC(=O)NCCN(C)C 240690a_100000210585_100000210558 [2,0,0,0,0,0|2,0,0]=4 1867 B16R0.297 CCCCCCCCCC(=O)NCCN(C)C 527a_100000210585_100000210558 [2,0,0,0,0,0|2,0,0]=4 1868 B16R0.297 CCCCCCCCCC(=O)NNCC(C)C 22a_100000696102_100000210558 [2,0,0,0,0,0|2,0,0]=4 1869 B16R0.297 CCCCCCCCCC(=O)OCNC(C)C 2230a_100138425928_200010990708 [2,0,0,0,0,0|1,0,0]=3 1870 B16R0.297 CCCCCCCCCC(=O)OCNC(C)C 34a_100138425928_200010990708 [2,0,0,0,0,0|1,0,0]=3 1871 B16R0.297 CCCCCCCCCC(=O)OCOC(C)C 34a_100000212225_200010990708 [2,0,0,0,0,0|1,0,0]=3 1872 B16R0.297 CCCCCCCCCC(=O)OCSC(C)C 62a_100000210206_200010990708 [2,0,0,0,0,0|1,0,0]=3 1873 B16R0.297 CCCCCCCCCC(C)OCCC(C)C 34a_100011218016_100000210312 [2,0,0,0,0,0|1,0,1]=4 1874 B16R0.297 CCCCCCCCCC(C)OCCC(C)C 7a_100011218016_100000210626 [2,0,0,0,0,0|1,0,1]=4 1875 B16R0.297 CCCCCCCCNC(=O)CCCC(C)C 11a_100000229939_100011216857 [2,0,0,0,0,0|2,0,0]=4 1876 B16R0.297 CCCCCCCCNC(=O)CCCC(C)C 1626a_100000229939_100011216857 [2,0,0,0,0,0|2,0,0]=4 1877 B16R0.297 CCCCCCCCNC(=O)CCCC(C)C 240690a_100000229939_100011216857 [2,0,0,0,0,0|2,0,0]=4 1878 B16R0.297 CCCCCCCCNC(=O)CCCC(C)C 527a_100000229939_100011216857 [2,0,0,0,0,0|2,0,0]=4 1879 B16R0.297 CCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000229939 [2,0,0,0,0,0|2,0,0]=4 1880 B16R0.297 CCCCCCCCNC(=O)NCCC(C)C 2708a_100000229939_100000210545 [2,0,0,0,0,0|2,0,0]=4 1881 B16R0.297 CCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000229939 [2,0,0,0,0,0|2,0,0]=4 1882 B16R0.297 CCCCCCCCNC(=O)NCCC(C)C 273464a_100000229939_100000210545 [2,0,0,0,0,0|2,0,0]=4 1883 B16R0.297 CCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000229939 [2,0,0,0,0,0|2,0,0]=4 1884 B16R0.297 CCCCCCCCNC(=O)NCCC(C)C 512a_100000229939_100000210545 [2,0,0,0,0,0|2,0,0]=4 1885 B16R0.303 CCCC/C=C/CCCCOCCCCCC 34a_200020645093_100000210314 [2,0,0,0,0,0|2,0,0]=4 1886 B16R0.303 CCCC/C=C/CCCCOCCCCCC 7a_200020645093_100000210314 [2,0,0,0,0,0|2,0,0]=4 1887 B16R0.303 CCCC/C=C/COCCCCCCCCC 34a_200016272032_100011214924 [2,0,0,0,0,0|2,0,0]=4 1888 B16R0.303 CCCC/C=C/COCCCCCCCCC 7a_200016272032_100000210328 [2,0,0,0,0,0|2,0,0]=4 1889 B16R0.303 CCCC/C=C\CCCCCCCCOCC 34a_100020587526_100000210202 [2,0,0,0,0,0|2,0,0]=4 1890 B16R0.303 CCCC/C=C\CCCCCCCCOCC 7a_100020587526_100000210202 [2,0,0,0,0,0|2,0,0]=4 1891 B16R0.303 CCCC/C=C\CCOCCCCCCCC 34a_200016286491_100000210759 [2,0,0,0,0,0|2,0,0]=4 1892 B16R0.303 CCCC/C=C\CCOCCCCCCCC 7a_200016286491_100000210759 [2,0,0,0,0,0|2,0,0]=4 1893 B16R0.303 CCCCCCCCCCCC=NNCCC 4a_100000740057_100011218549 [2,0,0,0,0,0|2,0,0]=4 1894 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000102301_100011215052 [2,0,0,0,0,0|1,0,1]=4 1895 B16R0.303 CCCCCCCCCCCCNCCCC 2230a_100000210451_100000210211 [2,0,0,0,0,0|1,0,1]=4 1896 B16R0.303 CCCCCCCCCCCCNCCCC 270004a_100000102301_100011218549 [2,0,0,0,0,0|1,0,1]=4 1897 B16R0.303 CCCCCCCCCCCCNCCCC 34a_100000210451_100000210210 [2,0,0,0,0,0|1,0,1]=4 1898 B16R0.303 CCCCCCCCCCCCNCCCC 7a_106832991798_100000759014 [2,0,0,0,0,0|1,0,1]=4 1899 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [2,0,0,0,0,0|1,0,1]=4 1900 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [2,0,0,0,0,0|0,0,1]=3 1901 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [2,0,0,0,0,0|0,0,1]=3 1902 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [2,0,0,0,0,0|0,0,1]=3 1903 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [2,0,0,0,0,0|0,0,1]=3 1904 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [2,0,0,0,0,0|1,0,1]=4 1905 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [2,0,0,0,0,0|1,0,1]=4 1906 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [2,0,0,0,0,0|1,0,1]=4 1907 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [2,0,0,0,0,0|1,0,1]=4 1908 B16R0.303 CCCCCCCCCCCCOCCCN 34a_100000182051_100000759014 [2,0,0,0,0,0|1,0,1]=4 1909 B16R0.303 CCCCCCCCCCCCOCCCO 34a_100000210810_100000230001 [2,0,0,0,0,0|1,0,1]=4 1910 B16R0.303 CCCCCCCCCCCCOCCCO 7a_100000210810_100011215043 [2,0,0,0,0,0|1,0,1]=4 1911 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210237_100000759014 [2,0,0,0,0,0|1,0,1]=4 1912 B16R0.303 CCCCCCCCCCCCOCCOC 34a_100000210810_100011201679 [2,0,0,0,0,0|1,0,1]=4 1913 B16R0.303 CCCCCCCCCCCCOCCOC 7a_100000210810_100000233755 [2,0,0,0,0,0|1,0,1]=4 1914 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000210810_100000212216 [2,0,0,0,0,0|1,0,1]=4 1915 B16R0.303 CCCCCCCCCCCCOCCSC 34a_100000230434_100000759014 [2,0,0,0,0,0|1,0,1]=4 1916 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000210810_100000212216 [2,0,0,0,0,0|1,0,1]=4 1917 B16R0.303 CCCCCCCCCCCCOCCSC 7a_100000230434_100000759014 [2,0,0,0,0,0|1,0,1]=4 1918 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_100000209983_100011215454 [2,0,0,0,0,0|2,0,0]=4 1919 B16R0.303 CCCCCCCCCCCNCCCCC 2230a_200011215754_100000210326 [2,0,0,0,0,0|2,0,0]=4 1920 B16R0.303 CCCCCCCCCCCNCCCCC 34a_200011215754_100000718602 [2,0,0,0,0,0|2,0,0]=4 1921 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210253_100011215454 [2,0,0,0,0,0|2,0,0]=4 1922 B16R0.303 CCCCCCCCCCCOCCCCC 34a_100000210809_100000718602 [2,0,0,0,0,0|2,0,0]=4 1923 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210253_100011215454 [2,0,0,0,0,0|2,0,0]=4 1924 B16R0.303 CCCCCCCCCCCOCCCCC 7a_100000210809_100000210326 [2,0,0,0,0,0|2,0,0]=4 1925 B16R0.303 CCCCCCCCCCNCOCCCC 2230a_100000684558_100011995733 [2,0,0,0,0,0|1,0,1]=4 1926 B16R0.303 CCCCCCCCCCNCOCCCC 34a_100000684558_100011995733 [2,0,0,0,0,0|1,0,1]=4 1927 B16R0.303 CCCCCCCCCCOCOCCCC 34a_100000210711_100011995733 [2,0,0,0,0,0|1,0,1]=4 1928 B16R0.303 CCCCCCCCCCSCOCCCC 62a_100011995733_100000210320 [2,0,0,0,0,0|1,0,1]=4 1929 B16R0.303 CCCCCCCCCNCCOCCCC 2230a_100000212291_100000743108 [2,0,0,0,0,0|1,0,1]=4 1930 B16R0.303 CCCCCCCCCNCCOCCCC 34a_100000212291_100000743108 [2,0,0,0,0,0|1,0,1]=4 1931 B16R0.303 CCCCCCCCCOCCOCCCC 34a_100000210238_100011214924 [2,0,0,0,0,0|1,0,1]=4 1932 B16R0.303 CCCCCCCCCOCCOCCCC 34a_100000210712_100000743108 [2,0,0,0,0,0|1,0,1]=4 1933 B16R0.303 CCCCCCCCCOCCOCCCC 7a_100000210238_100000210328 [2,0,0,0,0,0|1,0,1]=4 1934 B16R0.303 CCCCCCCCCOCCOCCCC 7a_100000210712_100000743108 [2,0,0,0,0,0|1,0,1]=4 1935 B16R0.303 CCCCCCCCCSCCOCCCC 62a_100000743108_100000210670 [2,0,0,0,0,0|1,0,1]=4 1936 B16R0.303 CCCCCCCCNCCCOCCCC 2230a_200000211371_100000210759 [2,0,0,0,0,0|1,0,1]=4 1937 B16R0.303 CCCCCCCCNCCCOCCCC 34a_200000211371_100000210759 [2,0,0,0,0,0|1,0,1]=4 1938 B16R0.303 CCCCCCCCOCCCOCCCC 34a_200011215613_100000210759 [2,0,0,0,0,0|1,0,1]=4 1939 B16R0.303 CCCCCCCCOCCCOCCCC 7a_200011215613_100000210759 [2,0,0,0,0,0|1,0,1]=4 1940 B16R0.303 CCCCCCCOCCCCOCCCC 34a_200000760531_100000210614 [2,0,0,0,0,0|1,0,1]=4 1941 B16R0.303 CCCCCCCOCCCCOCCCC 7a_200000760531_100000210614 [2,0,0,0,0,0|1,0,1]=4 1942 B16R0.303 CCCCOCCCCCCCCCCCBr 34a_100009812471_100000210210 [2,0,0,0,0,0|1,0,1]=4 1943 B16R0.303 CCCCOCCCCCCCCCCCBr 7a_100009812471_100000210211 [2,0,0,0,0,0|1,0,1]=4 1944 B16R0.303 CCCCOCCCCCCCCCCCO 34a_100000210227_100009812471 [2,0,0,0,0,0|1,0,1]=4 1945 B16R0.303 CCCCOCCCCCCCCCCCO 7a_100000210227_100009812471 [2,0,0,0,0,0|1,0,1]=4 1946 B16R0.303 CCCCOCCCCCCCCCOCC 34a_100009875440_100000210210 [2,0,0,0,0,0|1,0,1]=4 1947 B16R0.303 CCCCOCCCCCCCCCOCC 7a_100009875440_100000210211 [2,0,0,0,0,0|1,0,1]=4 1948 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000753159 [2,0,0,0,0,0|0,0,2]=4 1949 B16R0.661 C#CCCC(=O)CCCCCCCCCCC 1458a_100000692101_100011215454 [2,0,0,0,0,0|0,0,2]=4 1950 B16R0.661 C/C=C/CC(=O)CCCCCCCCCCC 1458a_100000210736_100102629194 [2,0,0,0,0,0|0,0,2]=4 1951 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [2,0,0,0,0,0|0,0,2]=4 1952 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [2,0,0,0,0,0|0,0,2]=4 1953 B16R0.661 C=CCCCCCCCCCC(=O)CCCC 1458a_100000210183_100009814027 [2,0,0,0,0,0|0,0,2]=4 1954 B16R0.661 CC#CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000748600 [2,0,0,0,0,0|0,0,2]=4 1955 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000070051 [2,0,0,0,0,0|0,0,2]=4 1956 B16R0.661 CC=CCC(=O)CCCCCCCCCCC 1458a_100121576822_100011215454 [2,0,0,0,0,0|0,0,2]=4 1957 B16R0.661 CCC#CC(=O)CCCCCCCCCCC 1458a_100011827653_100011215454 [2,0,0,0,0,0|0,0,2]=4 1958 B16R0.661 CCC=CC(=O)CCCCCCCCCCC 1458a_100000212282_100011215454 [2,0,0,0,0,0|0,0,2]=4 1959 B16R0.661 CCCCC(=O)CCCCCCCCCCO 1458a_100000210183_100009813290 [2,0,0,0,0,0|1,0,0]=3 1960 B16R0.661 CCCCC(=O)NCCCCCCCCCO 240690a_100000078944_100000210183 [2,0,0,0,0,0|2,0,0]=4 1961 B16R0.661 CCCCCCCCCC=CC(=O)CCCC 1458a_200015352897_100000210211 [2,0,0,0,0,0|0,0,2]=4 1962 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100000210736_100011215226 [2,0,0,0,0,0|1,0,1]=4 1963 B16R0.661 CCCCCCCCCCCC(=O)CCC#N 1458a_100011934036_100011215454 [2,0,0,0,0,0|1,0,1]=4 1964 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [2,0,0,0,0,0|0,0,0]=2 1965 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [2,0,0,0,0,0|0,0,0]=2 1966 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [2,0,0,0,0,0|1,0,0]=3 1967 B16R0.661 CCCCCCCCCCCC(=O)CCCO 1458a_100000210736_100011215043 [2,0,0,0,0,0|1,0,0]=3 1968 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000210736_100000233755 [2,0,0,0,0,0|1,0,0]=3 1969 B16R0.661 CCCCCCCCCCCC(=O)CCOC 1458a_100000749529_100011215454 [2,0,0,0,0,0|1,0,0]=3 1970 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011215454 [2,0,0,0,0,0|1,0,0]=3 1971 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000210736_100000751147 [2,0,0,0,0,0|1,0,0]=3 1972 B16R0.661 CCCCCCCCCCCC(=O)COCC 1458a_100000211967_100011215454 [2,0,0,0,0,0|1,0,0]=3 1973 B16R0.661 CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011215454 [2,0,0,0,0,0|1,0,0]=3 1974 B16R0.661 CCCCCCCCCCCC(=O)NCCC 11a_100020643023_100000210736 [2,0,0,0,0,0|1,0,0]=3 1975 B16R0.661 CCCCCCCCCCCC(=O)NCCC 1626a_100020643023_100000210736 [2,0,0,0,0,0|1,0,0]=3 1976 B16R0.661 CCCCCCCCCCCC(=O)NCCC 240690a_100020643023_100000210736 [2,0,0,0,0,0|1,0,0]=3 1977 B16R0.661 CCCCCCCCCCCC(=O)NCCF 11a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 1978 B16R0.661 CCCCCCCCCCCC(=O)NCCF 1626a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 1979 B16R0.661 CCCCCCCCCCCC(=O)NCCF 240690a_100000724931_100000210736 [2,0,0,0,0,0|2,0,0]=4 1980 B16R0.661 CCCCCCCCCCCC(=O)NCCO 240690a_100000210304_100000210736 [2,0,0,0,0,0|2,0,0]=4 1981 B16R0.661 CCCCCCCCCCCC(=O)NNCC 22a_100000756455_100000210736 [2,0,0,0,0,0|2,0,0]=4 1982 B16R0.661 CCCCCCCCCCCC(=O)OCNC 2230a_106832991635_100020644155 [2,0,0,0,0,0|1,0,0]=3 1983 B16R0.661 CCCCCCCCCCCC(=O)OCNC 34a_100102657272_100020644155 [2,0,0,0,0,0|1,0,0]=3 1984 B16R0.661 CCCCCCCCCCCC(=O)OCNC 7a_106832991635_100020644155 [2,0,0,0,0,0|1,0,0]=3 1985 B16R0.661 CCCCCCCCCCCC(=O)OCOC 34a_100138415774_100020644155 [2,0,0,0,0,0|1,0,0]=3 1986 B16R0.661 CCCCCCCCCCCC(=O)OCSC 62a_200000210301_100020644155 [2,0,0,0,0,0|1,0,0]=3 1987 B16R0.661 CCCCCCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100020644155 [2,0,0,0,0,0|1,0,0]=3 1988 B16R0.661 CCCCCCCCCCCC(C)OCCC 34a_100011217895_100000210303 [2,0,0,0,0,0|1,0,1]=4 1989 B16R0.661 CCCCCCCCCCCC(C)OCCC 7a_100011217895_100000210303 [2,0,0,0,0,0|1,0,1]=4 1990 B16R0.661 CCCCCCCCCCCN(C)CCCC 2230a_100000207549_100011215454 [2,0,0,0,0,0|2,0,0]=4 1991 B16R0.661 CCCCCCCCCCCN(C)CCCC 269982a_100000207549_100011215454 [2,0,0,0,0,0|2,0,0]=4 1992 B16R0.661 CCCCCCCCCCNC(=O)CCCC 11a_100000684558_100000210183 [2,0,0,0,0,0|1,0,0]=3 1993 B16R0.661 CCCCCCCCCCNC(=O)CCCC 1626a_100000684558_100000210183 [2,0,0,0,0,0|1,0,0]=3 1994 B16R0.661 CCCCCCCCCCNC(=O)CCCC 240690a_100000684558_100000210183 [2,0,0,0,0,0|1,0,0]=3 1995 B16R0.661 CCCCCCCCCCNC(=O)CCCC 527a_100000684558_100000210183 [2,0,0,0,0,0|1,0,0]=3 1996 B16R0.661 CCCCCCCCCCNC(=O)CCOC 11a_100000684558_100000749529 [2,0,0,0,0,0|2,0,0]=4 1997 B16R0.661 CCCCCCCCCCNC(=O)CCOC 1626a_100000684558_100000749529 [2,0,0,0,0,0|2,0,0]=4 1998 B16R0.661 CCCCCCCCCCNC(=O)CCOC 240690a_100000684558_100000749529 [2,0,0,0,0,0|2,0,0]=4 1999 B16R0.661 CCCCCCCCCCNC(=O)CCOC 527a_100000684558_100000749529 [2,0,0,0,0,0|2,0,0]=4 2000 B16R0.661 CCCCCCCCCCNC(=O)CCSC 11a_100000684558_100000174002 [2,0,0,0,0,0|2,0,0]=4 2001 B16R0.661 CCCCCCCCCCNC(=O)CCSC 1626a_100000684558_100000174002 [2,0,0,0,0,0|2,0,0]=4 2002 B16R0.661 CCCCCCCCCCNC(=O)CCSC 240690a_100000684558_100000174002 [2,0,0,0,0,0|2,0,0]=4 2003 B16R0.661 CCCCCCCCCCNC(=O)CCSC 527a_100000684558_100000174002 [2,0,0,0,0,0|2,0,0]=4 2004 B16R0.661 CCCCCCCCCCNC(=O)COCC 11a_100000684558_100000211967 [2,0,0,0,0,0|2,0,0]=4 2005 B16R0.661 CCCCCCCCCCNC(=O)COCC 1626a_100000684558_100000211967 [2,0,0,0,0,0|2,0,0]=4 2006 B16R0.661 CCCCCCCCCCNC(=O)COCC 240690a_100000684558_100000211967 [2,0,0,0,0,0|2,0,0]=4 2007 B16R0.661 CCCCCCCCCCNC(=O)COCC 527a_100000684558_100000211967 [2,0,0,0,0,0|2,0,0]=4 2008 B16R0.661 CCCCCCCCCCNC(=O)CSCC 11a_100000684558_100000230394 [2,0,0,0,0,0|2,0,0]=4 2009 B16R0.661 CCCCCCCCCCNC(=O)CSCC 1626a_100000684558_100000230394 [2,0,0,0,0,0|2,0,0]=4 2010 B16R0.661 CCCCCCCCCCNC(=O)CSCC 240690a_100000684558_100000230394 [2,0,0,0,0,0|2,0,0]=4 2011 B16R0.661 CCCCCCCCCCNC(=O)CSCC 527a_100000684558_100000230394 [2,0,0,0,0,0|2,0,0]=4 2012 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100000684558_100020643023 [2,0,0,0,0,0|2,0,0]=4 2013 B16R0.661 CCCCCCCCCCNC(=O)NCCC 2708a_100020643023_100000684558 [2,0,0,0,0,0|2,0,0]=4 2014 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100000684558_100020643023 [2,0,0,0,0,0|2,0,0]=4 2015 B16R0.661 CCCCCCCCCCNC(=O)NCCC 273464a_100020643023_100000684558 [2,0,0,0,0,0|2,0,0]=4 2016 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100000684558_100020643023 [2,0,0,0,0,0|2,0,0]=4 2017 B16R0.661 CCCCCCCCCCNC(=O)NCCC 512a_100020643023_100000684558 [2,0,0,0,0,0|2,0,0]=4 2018 B16R0.661 CCCCCCCCCCOC(=O)CNCC 2230a_100015525214_100000210668 [2,0,0,0,0,0|2,0,0]=4 2019 B16R0.661 CCCCCCCCCCOC(=O)COCC 34a_100121572206_100000210668 [2,0,0,0,0,0|2,0,0]=4 2020 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000210202_100000680656 [2,0,0,0,0,0|2,0,0]=4 2021 B16R0.661 CCCCCCCCCCOC(=O)CSCC 62a_100000680656_100000210202 [2,0,0,0,0,0|2,0,0]=4 2022 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000174927_100011214924 [2,0,0,0,0,0|2,0,0]=4 2023 B16R0.661 CCCCCCCCCNCC(=O)NCCC 2230a_100000212291_100000183358 [2,0,0,0,0,0|2,0,0]=4 2024 B16R0.661 CCCCCCCCCNCC(=O)NCCC 34a_100000212291_100000183358 [2,0,0,0,0,0|2,0,0]=4 2025 B16R0.661 CCCCCCCCCNCC(=O)OCCC 2230a_100000212291_200011215008 [2,0,0,0,0,0|1,0,0]=3 2026 B16R0.661 CCCCCCCCCNCC(=O)OCCC 34a_100000212291_200011215008 [2,0,0,0,0,0|1,0,0]=3 2027 B16R0.661 CCCCCCCCCOCC(=O)NCCC 34a_100000210712_100000183358 [2,0,0,0,0,0|2,0,0]=4 2028 B16R0.661 CCCCCCCCCOCC(=O)NCCC 7a_100000210712_100000183358 [2,0,0,0,0,0|2,0,0]=4 2029 B16R0.661 CCCCCCCCCOCC(=O)OCCC 34a_100000210712_200011215008 [2,0,0,0,0,0|1,0,0]=3 2030 B16R0.661 CCCCCCCCCOCC(=O)OCCC 7a_100000210712_200011215008 [2,0,0,0,0,0|1,0,0]=3 2031 B16R0.661 CCCCCCCCCSCC(=O)NCCC 62a_100000183358_100000210670 [2,0,0,0,0,0|2,0,0]=4 2032 B16R0.661 CCCCCCCCCSCC(=O)OCCC 62a_200011215008_100000210670 [2,0,0,0,0,0|1,0,0]=3 2033 B16R0.661 CCCCCCCCNCOC(=O)OCCC 34a_100000229939_200000139673 [2,0,0,0,0,0|2,0,0]=4 2034 B16R0.661 CCCCCCCCOCOC(=O)OCCC 34a_100000210232_200000139673 [2,0,0,0,0,0|2,0,0]=4 2035 B16R0.661 CCCCCCCCOCOC(=O)OCCC 7a_100000210232_200000139673 [2,0,0,0,0,0|2,0,0]=4 2036 B16R0.661 CCCCCCCCSCOC(=O)OCCC 62a_100000210759_200000139673 [2,0,0,0,0,0|2,0,0]=4 2037 B16R0.661 CCCCCCCNCCCC(=O)NCCC 2230a_100000229938_100011194427 [2,0,0,0,0,0|2,0,0]=4 2038 B16R0.661 CCCCCCCOCCCC(=O)NCCC 7a_100000210272_100011194427 [2,0,0,0,0,0|2,0,0]=4 2039 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100000210614_100011194427 [2,0,0,0,0,0|2,0,0]=4 2040 B16R0.661 CCCCCCCSCCCC(=O)NCCC 62a_100011194427_100000210316 [2,0,0,0,0,0|2,0,0]=4 2041 B16R0.661 CCCCCCOCCOCC(=O)OCCC 34a_100000691444_200011215008 [2,0,0,0,0,0|2,0,0]=4 2042 B16R0.661 CCCCCCOCCOCC(=O)OCCC 7a_100000691444_200011215008 [2,0,0,0,0,0|2,0,0]=4 2043 B16R0.661 CCCCNCCCCOCC(=O)OCCC 34a_200011216965_200011215008 [2,0,0,0,0,0|2,0,0]=4 2044 B16R0.661 CCCCOCCCCOCC(=O)OCCC 34a_200000760531_200011215008 [2,0,0,0,0,0|2,0,0]=4 2045 B16R0.661 CCCCOCCCCOCC(=O)OCCC 7a_200000760531_200011215008 [2,0,0,0,0,0|2,0,0]=4 2046 B16R0.661 CCCNC(=O)CCCCCCCCCCO 240690a_100020643023_200000016029 [2,0,0,0,0,0|2,0,0]=4 2047 B16R0.661 CCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200011215008 [2,0,0,0,0,0|2,0,0]=4 2048 B16R0.661 CCCOC(=O)CNCCCCCCCCO 34a_102515433106_200011215008 [2,0,0,0,0,0|2,0,0]=4 2049 B16R0.661 CCCOC(=O)COCCCCCCCCBr 34a_100009813846_200011215008 [2,0,0,0,0,0|2,0,0]=4 2050 B16R0.661 CCCOC(=O)COCCCCCCCCBr 7a_100009813846_200011215008 [2,0,0,0,0,0|2,0,0]=4 2051 B16R0.661 CCCOC(=O)COCCCCCCCCCl 34a_100000033203_200011215008 [2,0,0,0,0,0|2,0,0]=4 2052 B16R0.661 CCCOC(=O)COCCCCCCCCCl 7a_100000033203_200011215008 [2,0,0,0,0,0|2,0,0]=4 2053 B16R0.661 CCCOC(=O)COCCCCCCCCN 34a_102515433106_200011215008 [2,0,0,0,0,0|2,0,0]=4 2054 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_100000033203_200011215008 [2,0,0,0,0,0|2,0,0]=4 2055 B16R0.661 CCCOC(=O)CSCCCCCCCCO 62a_200011215008_100000033203 [2,0,0,0,0,0|2,0,0]=4 2056 B16R0.661 CCOCC(=O)CCCCCCCCCCO 1458a_100000211967_100009813290 [2,0,0,0,0,0|2,0,0]=4 2057 B16R0.661 CCSCC(=O)CCCCCCCCCCO 1458a_100000230394_100009813290 [2,0,0,0,0,0|2,0,0]=4 2058 B16R0.661 COCCC(=O)CCCCCCCCCCO 1458a_100000749529_100009813290 [2,0,0,0,0,0|2,0,0]=4 2059 B16R0.661 CSCCC(=O)CCCCCCCCCCO 1458a_100000174002_100009813290 [2,0,0,0,0,0|2,0,0]=4 2060 B18R0.218 CC(C)CC(C)NC(=O)CCCCCCCCCF 11a_100000692259_200009909015 [1,1,0,0,0,0|2,0,0]=4 2061 B18R0.218 CC(C)CC(C)NC(=O)CCCCCCCCCF 240690a_100000692259_200009909015 [1,1,0,0,0,0|2,0,0]=4 2062 B18R0.218 CC(C)CC(C)NC(=O)CCCCCCCCCF 527a_100000692259_200009909015 [1,1,0,0,0,0|2,0,0]=4 2063 B18R0.218 CC(C)CC(C)NC(=O)CCCCCCCCCO 240690a_100000692259_100000032657 [1,1,0,0,0,0|2,0,0]=4 2064 B18R0.218 CCCCCCCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000210375 [1,1,0,0,0,0|1,0,0]=3 2065 B18R0.218 CCCCCCCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210375 [1,1,0,0,0,0|1,0,0]=3 2066 B18R0.218 CCCCCCCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210375 [1,1,0,0,0,0|1,0,0]=3 2067 B18R0.218 CCCCCCCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100000210375 [1,1,0,0,0,0|2,0,0]=4 2068 B18R0.218 CCCCCCCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100000210375 [1,1,0,0,0,0|2,0,0]=4 2069 B18R0.218 CCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000212291_100000692259 [1,1,0,0,0,0|2,0,0]=4 2070 B18R0.218 CCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100000212291 [1,1,0,0,0,0|2,0,0]=4 2071 B18R0.218 CCCCCCCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100000212291 [1,1,0,0,0,0|2,0,0]=4 2072 B18R0.218 CCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000212291_100000692259 [1,1,0,0,0,0|2,0,0]=4 2073 B18R0.218 CCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000692259_100000212291 [1,1,0,0,0,0|2,0,0]=4 2074 B18R0.218 CCCCCCCCOCC(=O)NC(C)CC(C)C 11a_100000692259_100000759886 [1,1,0,0,0,0|2,0,0]=4 2075 B18R0.218 CCCCCCCCOCC(=O)NC(C)CC(C)C 1626a_100000692259_100000759886 [1,1,0,0,0,0|2,0,0]=4 2076 B18R0.218 CCCCCCCCOCC(=O)NC(C)CC(C)C 240690a_100000692259_100000759886 [1,1,0,0,0,0|2,0,0]=4 2077 B18R0.218 CCCCCCCCOCC(=O)NC(C)CC(C)C 527a_100000692259_100000759886 [1,1,0,0,0,0|2,0,0]=4 2078 B18R0.17284 CCCCCCCCCCS(=O)(=O)NCCC(C)C 270084a_100000210545_200011217601 [1,1,0,0,0,0|2,0,0]=4 2079 B18R0.17284 CCCCCCCCCCS(=O)(=O)NCCC(C)C 274078a_100000210545_200011217601 [1,1,0,0,0,0|2,0,0]=4 2080 B18R0.17427 CC(CO)CCNC(=O)CCCCCCCCCF 240690a_106354213184_200009909015 [1,1,0,0,0,0|2,0,0]=4 2081 B18R0.17427 CC(CO)CCNC(=O)CCCCCCCCCF 527a_106354213184_200009909015 [1,1,0,0,0,0|2,0,0]=4 2082 B18R0.17427 CC(CO)CCNC(=O)CCCCCCCCCO 240690a_106354213184_100000032657 [1,1,0,0,0,0|2,0,0]=4 2083 B18R0.17427 CCC(C)CCNC(=O)CCCCCCCCCF 11a_100020591266_200009909015 [1,1,0,0,0,0|2,0,0]=4 2084 B18R0.17427 CCC(C)CCNC(=O)CCCCCCCCCF 240690a_100020591266_200009909015 [1,1,0,0,0,0|2,0,0]=4 2085 B18R0.17427 CCC(C)CCNC(=O)CCCCCCCCCF 527a_100020591266_200009909015 [1,1,0,0,0,0|2,0,0]=4 2086 B18R0.17427 CCC(C)CCNC(=O)CCCCCCCCCO 240690a_100020591266_100000032657 [1,1,0,0,0,0|2,0,0]=4 2087 B18R0.17427 CCCCCCCCCCC(=O)CCCN(C)CC 1458a_100000210375_100015186262 [1,1,0,0,0,0|2,0,0]=4 2088 B18R0.17427 CCCCCCCCCCC(=O)NCCC(C)CC 11a_100020591266_100000210375 [1,1,0,0,0,0|1,0,0]=3 2089 B18R0.17427 CCCCCCCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210375 [1,1,0,0,0,0|1,0,0]=3 2090 B18R0.17427 CCCCCCCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210375 [1,1,0,0,0,0|1,0,0]=3 2091 B18R0.17427 CCCCCCCCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210375 [1,1,0,0,0,0|1,0,0]=3 2092 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CC 2708a_100000212291_100020591266 [1,1,0,0,0,0|2,0,0]=4 2093 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CC 2708a_100020591266_100000212291 [1,1,0,0,0,0|2,0,0]=4 2094 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CC 273464a_100000212291_100020591266 [1,1,0,0,0,0|2,0,0]=4 2095 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CC 273464a_100020591266_100000212291 [1,1,0,0,0,0|2,0,0]=4 2096 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CC 512a_100000212291_100020591266 [1,1,0,0,0,0|2,0,0]=4 2097 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CC 512a_100020591266_100000212291 [1,1,0,0,0,0|2,0,0]=4 2098 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CO 2708a_100000212291_106354213184 [1,1,0,0,0,0|2,0,0]=4 2099 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CO 273464a_100000212291_106354213184 [1,1,0,0,0,0|2,0,0]=4 2100 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CO 273464a_106354213184_100000212291 [1,1,0,0,0,0|2,0,0]=4 2101 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CO 512a_100000212291_106354213184 [1,1,0,0,0,0|2,0,0]=4 2102 B18R0.17427 CCCCCCCCCNC(=O)NCCC(C)CO 512a_106354213184_100000212291 [1,1,0,0,0,0|2,0,0]=4 2103 B18R0.17427 CCCCCCCCOCC(=O)NCCC(C)CC 11a_100020591266_100000759886 [1,1,0,0,0,0|2,0,0]=4 2104 B18R0.17427 CCCCCCCCOCC(=O)NCCC(C)CC 1626a_100020591266_100000759886 [1,1,0,0,0,0|2,0,0]=4 2105 B18R0.17427 CCCCCCCCOCC(=O)NCCC(C)CC 240690a_100020591266_100000759886 [1,1,0,0,0,0|2,0,0]=4 2106 B18R0.17427 CCCCCCCCOCC(=O)NCCC(C)CC 527a_100020591266_100000759886 [1,1,0,0,0,0|2,0,0]=4 2107 B18R0.17427 CCCCCCCCOCC(=O)NCCC(C)CO 240690a_106354213184_100000759886 [1,1,0,0,0,0|2,0,0]=4 2108 B18R0.17427 CCCCCCCCOCC(=O)NCCC(C)CO 527a_106354213184_100000759886 [1,1,0,0,0,0|2,0,0]=4 2109 B18R0.17436 CC(C)(C)CCNC(=O)CCCCCCCCCF 11a_100000738805_200009909015 [1,1,0,0,0,0|2,0,0]=4 2110 B18R0.17436 CC(C)(C)CCNC(=O)CCCCCCCCCF 240690a_100000738805_200009909015 [1,1,0,0,0,0|2,0,0]=4 2111 B18R0.17436 CC(C)(C)CCNC(=O)CCCCCCCCCF 527a_100000738805_200009909015 [1,1,0,0,0,0|2,0,0]=4 2112 B18R0.17436 CC(C)(C)CCNC(=O)CCCCCCCCCO 240690a_100000738805_100000032657 [1,1,0,0,0,0|2,0,0]=4 2113 B18R0.17436 CC(C)(F)CCNC(=O)CCCCCCCCCF 11a_100016253952_200009909015 [1,1,0,0,0,0|2,0,0]=4 2114 B18R0.17436 CC(C)(F)CCNC(=O)CCCCCCCCCF 240690a_100016253952_200009909015 [1,1,0,0,0,0|2,0,0]=4 2115 B18R0.17436 CC(C)(F)CCNC(=O)CCCCCCCCCF 527a_100016253952_200009909015 [1,1,0,0,0,0|2,0,0]=4 2116 B18R0.17436 CC(C)(F)CCNC(=O)CCCCCCCCCO 240690a_100016253952_100000032657 [1,1,0,0,0,0|2,0,0]=4 2117 B18R0.17436 CC(C)(O)CCNC(=O)CCCCCCCCCF 527a_100000707701_200009909015 [1,1,0,0,0,0|2,0,0]=4 2118 B18R0.17436 CCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210319 [1,1,0,0,0,0|2,0,0]=4 2119 B18R0.17436 CCCCCCCCCCC(=O)CCC[N+](C)(C)C 1458a_100000210375_100016990835 [1,1,0,0,0,0|2,0,0]=4 2120 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000210375 [1,1,0,0,0,0|1,0,0]=3 2121 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210375 [1,1,0,0,0,0|1,0,0]=3 2122 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210375 [1,1,0,0,0,0|1,0,0]=3 2123 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000210375 [1,1,0,0,0,0|1,0,0]=3 2124 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210375 [1,1,0,0,0,0|1,0,0]=3 2125 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210375 [1,1,0,0,0,0|1,0,0]=3 2126 B18R0.17436 CCCCCCCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210375 [1,1,0,0,0,0|1,0,0]=3 2127 B18R0.17436 CCCCCCCCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100000210375 [1,1,0,0,0,0|2,0,0]=4 2128 B18R0.17436 CCCCCCCCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100000210375 [1,1,0,0,0,0|2,0,0]=4 2129 B18R0.17436 CCCCCCCCCCC(C)OCCC(C)(C)O 34a_100011215000_100000702414 [1,1,0,0,0,0|1,0,1]=4 2130 B18R0.17436 CCCCCCCCCCC(C)OCCC(C)(C)O 7a_100011215000_100000702414 [1,1,0,0,0,0|1,0,1]=4 2131 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000212291_100000738805 [1,1,0,0,0,0|2,0,0]=4 2132 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100000212291 [1,1,0,0,0,0|2,0,0]=4 2133 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000212291_100000738805 [1,1,0,0,0,0|2,0,0]=4 2134 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100000212291 [1,1,0,0,0,0|2,0,0]=4 2135 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000212291_100000738805 [1,1,0,0,0,0|2,0,0]=4 2136 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000738805_100000212291 [1,1,0,0,0,0|2,0,0]=4 2137 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100000212291_100016253952 [1,1,0,0,0,0|2,0,0]=4 2138 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100000212291 [1,1,0,0,0,0|2,0,0]=4 2139 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100000212291_100016253952 [1,1,0,0,0,0|2,0,0]=4 2140 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100000212291 [1,1,0,0,0,0|2,0,0]=4 2141 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100000212291_100016253952 [1,1,0,0,0,0|2,0,0]=4 2142 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100016253952_100000212291 [1,1,0,0,0,0|2,0,0]=4 2143 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000212291_100000707701 [1,1,0,0,0,0|2,0,0]=4 2144 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100000212291 [1,1,0,0,0,0|2,0,0]=4 2145 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000212291_100000707701 [1,1,0,0,0,0|2,0,0]=4 2146 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100000212291 [1,1,0,0,0,0|2,0,0]=4 2147 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000212291_100000707701 [1,1,0,0,0,0|2,0,0]=4 2148 B18R0.17436 CCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000707701_100000212291 [1,1,0,0,0,0|2,0,0]=4 2149 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)C 11a_100000738805_100000759886 [1,1,0,0,0,0|2,0,0]=4 2150 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)C 1626a_100000738805_100000759886 [1,1,0,0,0,0|2,0,0]=4 2151 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)C 240690a_100000738805_100000759886 [1,1,0,0,0,0|2,0,0]=4 2152 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)C 527a_100000738805_100000759886 [1,1,0,0,0,0|2,0,0]=4 2153 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)F 11a_100016253952_100000759886 [1,1,0,0,0,0|2,0,0]=4 2154 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)F 1626a_100016253952_100000759886 [1,1,0,0,0,0|2,0,0]=4 2155 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)F 240690a_100016253952_100000759886 [1,1,0,0,0,0|2,0,0]=4 2156 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)F 527a_100016253952_100000759886 [1,1,0,0,0,0|2,0,0]=4 2157 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)O 1626a_100000707701_100000759886 [1,1,0,0,0,0|2,0,0]=4 2158 B18R0.17436 CCCCCCCCOCC(=O)NCCC(C)(C)O 527a_100000707701_100000759886 [1,1,0,0,0,0|2,0,0]=4 2159 B18R0.19789 CC(C)C(O)CNC(=O)CCCCCCCCCF 11a_100000759067_200009909015 [1,1,0,0,0,0|2,0,0]=4 2160 B18R0.19789 CC(C)C(O)CNC(=O)CCCCCCCCCF 240690a_100000759067_200009909015 [1,1,0,0,0,0|2,0,0]=4 2161 B18R0.19789 CC(C)C(O)CNC(=O)CCCCCCCCCF 527a_100000759067_200009909015 [1,1,0,0,0,0|2,0,0]=4 2162 B18R0.19789 CC(C)C(O)CNC(=O)CCCCCCCCCO 240690a_100000759067_100000032657 [1,1,0,0,0,0|2,0,0]=4 2163 B18R0.19789 CCCCCCCCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210319 [1,1,0,0,0,0|2,0,0]=4 2164 B18R0.19789 CCCCCCCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210375 [1,1,0,0,0,0|1,0,0]=3 2165 B18R0.19789 CCCCCCCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210375 [1,1,0,0,0,0|1,0,0]=3 2166 B18R0.19789 CCCCCCCCCNC(=O)NCC(O)C(C)C 2708a_100000212291_100000759067 [1,1,0,0,0,0|2,0,0]=4 2167 B18R0.19789 CCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000212291_100000759067 [1,1,0,0,0,0|2,0,0]=4 2168 B18R0.19789 CCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100000212291 [1,1,0,0,0,0|2,0,0]=4 2169 B18R0.19789 CCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000212291_100000759067 [1,1,0,0,0,0|2,0,0]=4 2170 B18R0.19789 CCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000759067_100000212291 [1,1,0,0,0,0|2,0,0]=4 2171 B18R0.19789 CCCCCCCCOCC(=O)NCC(O)C(C)C 11a_100000759067_100000759886 [1,1,0,0,0,0|2,0,0]=4 2172 B18R0.19789 CCCCCCCCOCC(=O)NCC(O)C(C)C 240690a_100000759067_100000759886 [1,1,0,0,0,0|2,0,0]=4 2173 B18R0.19789 CCCCCCCCOCC(=O)NCC(O)C(C)C 527a_100000759067_100000759886 [1,1,0,0,0,0|2,0,0]=4 2174 B18R0.19794 CC(C)CCOC(=O)C(C)OCCCCCCCO 34a_200000034679_100000760002 [1,1,0,0,0,0|2,0,0]=4 2175 B18R0.19794 CC(C)CCOC(=O)C(C)OCCCCCCCO 7a_200000034679_100000760002 [1,1,0,0,0,0|2,0,0]=4 2176 B18R0.19794 CCCCCCCCCN(C)C(=O)CCCC(C)C 11a_100000232482_100011216857 [1,1,0,0,0,0|2,0,0]=4 2177 B18R0.19794 CCCCCCCCCN(C)C(=O)CCCC(C)C 1626a_100000232482_100011216857 [1,1,0,0,0,0|2,0,0]=4 2178 B18R0.19794 CCCCCCCCCN(C)C(=O)CCCC(C)C 240690a_100000232482_100011216857 [1,1,0,0,0,0|2,0,0]=4 2179 B18R0.19794 CCCCCCCCCN(C)C(=O)CCCC(C)C 527a_100000232482_100011216857 [1,1,0,0,0,0|2,0,0]=4 2180 B18R0.19794 CCCCCCCCCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000232482 [1,1,0,0,0,0|2,0,0]=4 2181 B18R0.19794 CCCCCCCCCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000232482 [1,1,0,0,0,0|2,0,0]=4 2182 B18R0.19794 CCCCCCCCNC(C)C(=O)NCCC(C)C 2230a_100000229939_100000735922 [1,1,0,0,0,0|2,0,0]=4 2183 B18R0.19794 CCCCCCCCNC(C)C(=O)NCCC(C)C 34a_100000229939_100000735922 [1,1,0,0,0,0|2,0,0]=4 2184 B18R0.19794 CCCCCCCCOC(C)C(=O)NCCC(C)C 34a_100000210232_100000735922 [1,1,0,0,0,0|2,0,0]=4 2185 B18R0.19794 CCCCCCCCOC(C)C(=O)NCCC(C)C 7a_100000210232_100000735922 [1,1,0,0,0,0|2,0,0]=4 2186 B18R0.19794 CCCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100000210759 [1,1,0,0,0,0|1,0,0]=3 2187 B18R0.19794 CCCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100000210759 [1,1,0,0,0,0|1,0,0]=3 2188 B18R0.19794 CCCCCCCCSC(C)C(=O)NCCC(C)C 62a_100000210759_100000735922 [1,1,0,0,0,0|2,0,0]=4 2189 B18R0.19794 CCCCCCCCSC(C)C(=O)NCCC(C)C 62a_100000735922_100000210317 [1,1,0,0,0,0|2,0,0]=4 2190 B18R0.19794 COCCCCCCOC(C)C(=O)OCCC(C)C 34a_200000034679_100011998445 [1,1,0,0,0,0|2,0,0]=4 2191 B18R0.19794 COCCCCCCOC(C)C(=O)OCCC(C)C 7a_200000034679_100011998445 [1,1,0,0,0,0|2,0,0]=4 2192 B18R0.20350 CC(C)CCC(C)C(=O)CCCCCCCCCF 1458a_200009909015_100011261404 [1,1,0,0,0,0|2,0,0]=4 2193 B18R0.20350 CC(C)CCN(C)C(=O)CCCCCCCCCF 11a_100000742789_200009909015 [1,1,0,0,0,0|2,0,0]=4 2194 B18R0.20350 CC(C)CCN(C)C(=O)CCCCCCCCCF 240690a_100000742789_200009909015 [1,1,0,0,0,0|2,0,0]=4 2195 B18R0.20350 CC(C)CCN(C)C(=O)CCCCCCCCCF 527a_100000742789_200009909015 [1,1,0,0,0,0|2,0,0]=4 2196 B18R0.20350 CC(C)CCN(C)C(=O)CCCCCCCCCO 240690a_100000742789_100000032657 [1,1,0,0,0,0|2,0,0]=4 2197 B18R0.20350 CCCCCCCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210319 [1,1,0,0,0,0|2,0,0]=4 2198 B18R0.20350 CCCCCCCCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000210375 [1,1,0,0,0,0|1,0,0]=3 2199 B18R0.20350 CCCCCCCCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210375 [1,1,0,0,0,0|1,0,0]=3 2200 B18R0.20350 CCCCCCCCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210375 [1,1,0,0,0,0|1,0,0]=3 2201 B18R0.20350 CCCCCCCCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100000210375 [1,1,0,0,0,0|2,0,0]=4 2202 B18R0.20350 CCCCCCCCCNC(=O)N(C)CCC(C)C 2708a_100000212291_100000742789 [1,1,0,0,0,0|2,0,0]=4 2203 B18R0.20350 CCCCCCCCCNC(=O)N(C)CCC(C)C 273464a_100000212291_100000742789 [1,1,0,0,0,0|2,0,0]=4 2204 B18R0.20350 CCCCCCCCOCC(=O)C(C)CCC(C)C 1458a_100000759886_100011261404 [1,1,0,0,0,0|2,0,0]=4 2205 B18R0.20350 CCCCCCCCOCC(=O)N(C)CCC(C)C 11a_100000742789_100000759886 [1,1,0,0,0,0|2,0,0]=4 2206 B18R0.20350 CCCCCCCCOCC(=O)N(C)CCC(C)C 1626a_100000742789_100000759886 [1,1,0,0,0,0|2,0,0]=4 2207 B18R0.20350 CCCCCCCCOCC(=O)N(C)CCC(C)C 240690a_100000742789_100000759886 [1,1,0,0,0,0|2,0,0]=4 2208 B18R0.20350 CCCCCCCCOCC(=O)N(C)CCC(C)C 527a_100000742789_100000759886 [1,1,0,0,0,0|2,0,0]=4 2209 B18R0.174 CC(C)[C@@H](N)COCCCCCCCCCCCO 34a_100011830312_100009812471 [1,1,0,0,0,0|1,0,1]=4 2210 B18R0.174 CCCCCCCCCCCCNCC(O)C(C)C 2230a_100000759067_100011215052 [1,1,0,0,0,0|1,0,1]=4 2211 B18R0.174 CCCCCCCCCCCCNCC(O)C(C)C 270004a_100000759067_100011218549 [1,1,0,0,0,0|1,0,1]=4 2212 B18R0.174 CCCCCCCCCCCCNCC(O)C(C)C 34a_100000759067_100000759014 [1,1,0,0,0,0|1,0,1]=4 2213 B18R0.174 CCCCCCCCCCCCOCC(=O)C(C)C 34a_100000210810_100000753385 [1,1,0,0,0,0|0,0,2]=4 2214 B18R0.174 CCCCCCCCCCCCOCC(=O)C(C)C 7a_100000210810_100000753385 [1,1,0,0,0,0|0,0,2]=4 2215 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(C)C 34a_100011830312_100000759014 [1,1,0,0,0,0|0,0,1]=3 2216 B18R0.174 CCCCCCCCCCCOCCC(N)C(C)C 34a_100161115045_100011215454 [1,1,0,0,0,0|2,0,0]=4 2217 B18R0.176 CCCCCCCCCC/C=C/COCCC(C)O 34a_200025761149_100012276601 [1,1,0,0,0,0|1,0,1]=4 2218 B18R0.176 CCCCCCCCCC/C=C/COCCC(C)O 7a_200025761149_100012276601 [1,1,0,0,0,0|1,0,1]=4 2219 B18R0.176 CCCCCCCCCC/C=C/COCCN(C)C 7a_200025761149_100000755713 [1,1,0,0,0,0|1,0,1]=4 2220 B18R0.176 CCCCCCCCCC/C=C/COCOC(C)C 34a_200025761149_100000709892 [1,1,0,0,0,0|1,0,1]=4 2221 B18R0.182 CC(C)(C)CCOCCCCCCCCCCCO 7a_100000765024_100009812471 [1,1,0,0,0,0|1,0,1]=4 2222 B18R0.182 CC(C)(O)CCOCCCCCCCCCCCBr 34a_100009812471_100000702414 [1,1,0,0,0,0|1,0,1]=4 2223 B18R0.182 CC(C)(O)CCOCCCCCCCCCCCBr 7a_100009812471_100000702414 [1,1,0,0,0,0|1,0,1]=4 2224 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)C 2230a_100000210451_100000755188 [1,1,0,0,0,0|1,0,1]=4 2225 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)C 2230a_100000738805_100011215052 [1,1,0,0,0,0|1,0,1]=4 2226 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)C 270004a_100000738805_100011218549 [1,1,0,0,0,0|1,0,1]=4 2227 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)C 34a_100000210451_100000755188 [1,1,0,0,0,0|1,0,1]=4 2228 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)F 2230a_100016253952_100011215052 [1,1,0,0,0,0|1,0,1]=4 2229 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)F 270004a_100016253952_100011218549 [1,1,0,0,0,0|1,0,1]=4 2230 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)O 2230a_100000210451_100000702414 [1,1,0,0,0,0|1,0,1]=4 2231 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)O 270004a_100000707701_100011218549 [1,1,0,0,0,0|1,0,1]=4 2232 B18R0.182 CCCCCCCCCCCCNCCC(C)(C)O 34a_100000210451_100000702414 [1,1,0,0,0,0|1,0,1]=4 2233 B18R0.182 CCCCCCCCCCCCOCCC(C)(C)O 34a_100000210810_100000702414 [1,1,0,0,0,0|0,0,1]=3 2234 B18R0.182 CCCCCCCCCCCCOCCC(C)(C)O 7a_100000210810_100000702414 [1,1,0,0,0,0|0,0,1]=3 2235 B18R0.182 CCCCCCCCCCCCOCC[N+](C)(C)C 34a_100000210810_100000085578 [1,1,0,0,0,0|1,0,1]=4 2236 B18R0.182 CCCCCCCCCCCCOCC[N+](C)(C)C 7a_100000210810_100000085578 [1,1,0,0,0,0|1,0,1]=4 2237 B18R0.182 CCCCCCCCCCCCOCC[N+](C)(C)C 7a_200020618287_100000759014 [1,1,0,0,0,0|1,0,1]=4 2238 B18R0.182 CCCCCCCCCCCCSCCC(C)(C)O 62a_100000702414_100000759014 [1,1,0,0,0,0|0,1,1]=4 2239 B18R0.182 CCCCCCCCCCCNCCCC(C)(C)O 2230a_200011215754_100009888830 [1,1,0,0,0,0|2,0,0]=4 2240 B18R0.182 CCCCCCCCCCCNCCCC(C)(C)O 34a_200011215754_100009888830 [1,1,0,0,0,0|2,0,0]=4 2241 B18R0.182 CCCCCCCCCCCOCCCC(C)(C)O 34a_100000210809_100009888830 [1,1,0,0,0,0|2,0,0]=4 2242 B18R0.182 CCCCCCCCCCCOCCCC(C)(C)O 7a_100000210809_100009888830 [1,1,0,0,0,0|2,0,0]=4 2243 B18R0.182 CCCCCCCCCCCSCCCC(C)(C)O 62a_100009888830_100011215454 [1,1,0,0,0,0|2,0,0]=4 2244 B18R0.182 CCOCCCCCCCCCOCCC(C)(C)C 34a_100009875440_100000755188 [1,1,0,0,0,0|1,0,1]=4 2245 B18R0.182 CCOCCCCCCCCCOCCC(C)(C)C 7a_100009875440_100000755188 [1,1,0,0,0,0|1,0,1]=4 2246 B18R0.182 CCOCCCCCCCCCOCCC(C)(C)O 34a_100009875440_100000702414 [1,1,0,0,0,0|1,0,1]=4 2247 B18R0.182 CCOCCCCCCCCCOCCC(C)(C)O 7a_100009875440_100000702414 [1,1,0,0,0,0|1,0,1]=4 2248 B18R0.220 CC(C)CC(C)OCCCCCCCCCCCO 34a_100000211805_100009812471 [1,1,0,0,0,0|1,0,1]=4 2249 B18R0.220 CC(C)CC(C)OCCCCCCCCCCCO 7a_100000211805_100009812471 [1,1,0,0,0,0|1,0,1]=4 2250 B18R0.220 CCCCCCCCCCCCNC(C)CC(C)C 2230a_100000210451_100000731052 [1,1,0,0,0,0|1,0,1]=4 2251 B18R0.220 CCCCCCCCCCCCNC(C)CC(C)C 2230a_100000692259_100011215052 [1,1,0,0,0,0|1,0,1]=4 2252 B18R0.220 CCCCCCCCCCCCNC(C)CC(C)C 270004a_100000692259_100011218549 [1,1,0,0,0,0|1,0,1]=4 2253 B18R0.220 CCCCCCCCCCCCNC(C)CC(C)C 34a_100000210451_100000731052 [1,1,0,0,0,0|1,0,1]=4 2254 B18R0.220 CCCCCCCCCCCOC[C@@H](N)CC(C)C 34a_100011830311_100011215454 [1,1,0,0,0,0|2,0,0]=4 2255 B18R0.220 CCOCCCCCCCCCOC(C)CC(C)C 34a_100009875440_100000731052 [1,1,0,0,0,0|1,0,1]=4 2256 B18R0.220 CCOCCCCCCCCCOC(C)CC(C)C 7a_100009875440_100000731052 [1,1,0,0,0,0|1,0,1]=4 2257 B18R0.11628 CCCCCCCCCC(C)CNCCCC(C)C 270004a_200000737386_200011218516 [1,1,0,0,0,0|2,0,0]=4 2258 B18R0.17430 CCCCCCCCCCC(C)NCCCC(C)C 270004a_200000737386_200011219864 [1,1,0,0,0,0|2,0,0]=4 2259 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)C 2230a_100000227908_100000210312 [1,1,0,0,0,0|1,0,1]=4 2260 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100011215052 [1,1,0,0,0,0|1,0,1]=4 2261 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)C 269982a_100000227908_100000210312 [1,1,0,0,0,0|1,0,1]=4 2262 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100000759014 [1,1,0,0,0,0|1,0,1]=4 2263 B18R0.19183 CCCCCCCCCCCCN(C)CCC(C)C 270004a_100000742789_100011218549 [1,1,0,0,0,0|1,0,1]=4 2264 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 11a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 2265 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 1626a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 2266 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 240690a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 2267 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 527a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 2268 B18R0.19183 CCCCCCCCCCCNC(C)CCC(C)C 2230a_100138410893_100011215454 [1,1,0,0,0,0|2,0,0]=4 2269 B18R0.19183 CCCCCCCCCCCNC(C)CCC(C)C 2230a_200011215754_100011261404 [1,1,0,0,0,0|2,0,0]=4 2270 B18R0.19183 CCCCCCCCCCCNC(C)CCC(C)C 270004a_200011215754_100000210476 [1,1,0,0,0,0|2,0,0]=4 2271 B18R0.19183 CCCCCCCCCCCNC(C)CCC(C)C 34a_200011215754_100011261404 [1,1,0,0,0,0|2,0,0]=4 2272 B18R0.45 CCCC(C)CC(=O)CCCCCCCCCCO 1458a_100000748435_100009813290 [1,1,0,0,0,0|2,0,0]=4 2273 B18R0.45 CCCC(C)NC(=O)CCCCCCCCCCO 240690a_100000741246_200000016029 [1,1,0,0,0,0|2,0,0]=4 2274 B18R0.45 CCCCCCCCCCCC(=O)CC(=O)CCC 1458a_100000210736_100000747444 [1,1,0,0,0,0|1,0,1]=4 2275 B18R0.45 CCCCCCCCCCCC(=O)CS(=O)CCC 1458a_100011387404_100011215454 [1,1,0,0,0,0|2,0,0]=4 2276 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210736 [1,1,0,0,0,0|1,0,0]=3 2277 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210736 [1,1,0,0,0,0|1,0,0]=3 2278 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210736 [1,1,0,0,0,0|1,0,0]=3 2279 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210736 [1,1,0,0,0,0|2,0,0]=4 2280 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210736 [1,1,0,0,0,0|2,0,0]=4 2281 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210736 [1,1,0,0,0,0|2,0,0]=4 2282 B18R0.45 CCCCCCCCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210736 [1,1,0,0,0,0|2,0,0]=4 2283 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 11a_100000684558_100000748435 [1,1,0,0,0,0|2,0,0]=4 2284 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 1626a_100000684558_100000748435 [1,1,0,0,0,0|2,0,0]=4 2285 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 240690a_100000684558_100000748435 [1,1,0,0,0,0|2,0,0]=4 2286 B18R0.45 CCCCCCCCCCNC(=O)CC(C)CCC 527a_100000684558_100000748435 [1,1,0,0,0,0|2,0,0]=4 2287 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 2708a_100000684558_100000741246 [1,1,0,0,0,0|2,0,0]=4 2288 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 2708a_100000741246_100000684558 [1,1,0,0,0,0|2,0,0]=4 2289 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 273464a_100000741246_100000684558 [1,1,0,0,0,0|2,0,0]=4 2290 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 512a_100000684558_100000741246 [1,1,0,0,0,0|2,0,0]=4 2291 B18R0.45 CCCCCCCCCCNC(=O)NC(C)CCC 512a_100000741246_100000684558 [1,1,0,0,0,0|2,0,0]=4 2292 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010269958 [1,1,0,0,0,0|1,0,1]=4 2293 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000696528_100011215454 [1,1,0,0,0,0|1,0,1]=4 2294 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 11a_100000718082_100000210736 [1,1,0,0,0,0|1,0,1]=4 2295 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 1626a_100000718082_100000210736 [1,1,0,0,0,0|1,0,1]=4 2296 B18R0.7792 C#CCCCNC(=O)CCCCCCCCCCC 240690a_100000718082_100000210736 [1,1,0,0,0,0|1,0,1]=4 2297 B18R0.7792 C#CCNCOC(=O)CCCCCCCCCCC 34a_100000212058_100020644155 [1,1,0,0,0,0|0,0,2]=4 2298 B18R0.7792 C#CCOCOC(=O)CCCCCCCCCCC 34a_100000210247_100020644155 [1,1,0,0,0,0|0,0,2]=4 2299 B18R0.7792 C#CCSCOC(=O)CCCCCCCCCCC 62a_100000038162_100020644155 [1,1,0,0,0,0|0,0,2]=4 2300 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 11a_100000700776_100000210736 [1,1,0,0,0,0|1,0,1]=4 2301 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 1626a_100000700776_100000210736 [1,1,0,0,0,0|1,0,1]=4 2302 B18R0.7792 C=CCCCNC(=O)CCCCCCCCCCC 240690a_100000700776_100000210736 [1,1,0,0,0,0|1,0,1]=4 2303 B18R0.7792 C=CCNCOC(=O)CCCCCCCCCCC 2230a_100020586998_100020644155 [1,1,0,0,0,0|0,0,2]=4 2304 B18R0.7792 C=CCOCOC(=O)CCCCCCCCCCC 34a_200000210373_100020644155 [1,1,0,0,0,0|0,0,2]=4 2305 B18R0.7792 C=CCSCOC(=O)CCCCCCCCCCC 62a_100000210623_100020644155 [1,1,0,0,0,0|0,0,2]=4 2306 B18R0.7792 CCCC=NNC(=O)CCCCCCCCCCC 4a_200011219152_100000185831 [1,1,0,0,0,0|1,0,1]=4 2307 B18R0.7792 CCCCC=CC(=O)CCCCCCCCCCO 1458a_100016266645_100009813290 [1,1,0,0,0,0|2,0,0]=4 2308 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 11a_100000684558_100016266645 [1,1,0,0,0,0|2,0,0]=4 2309 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 1626a_100000684558_100016266645 [1,1,0,0,0,0|2,0,0]=4 2310 B18R0.7792 CCCCC=CC(=O)NCCCCCCCCCC 240690a_100000684558_100016266645 [1,1,0,0,0,0|2,0,0]=4 2311 B18R0.7792 CCCCCCCCCC=CC(=O)COCCCC 1458a_200015352897_100011995733 [1,1,0,0,0,0|0,0,2]=4 2312 B18R0.7792 CCCCCCCCCCCC(=NNCCCC)C 4a_100025702795_100011216755 [1,1,0,0,0,0|2,0,0]=4 2313 B18R0.7792 CCCCCCCCCCCC(=O)CCCCC#N 1458a_100000210736_100000211819 [1,1,0,0,0,0|1,0,1]=4 2314 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210736 [1,1,0,0,0,0|1,0,0]=3 2315 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210736 [1,1,0,0,0,0|1,0,0]=3 2316 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210736 [1,1,0,0,0,0|1,0,0]=3 2317 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCO 240690a_100000750430_100000210736 [1,1,0,0,0,0|1,0,0]=3 2318 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 1626a_100150723488_100000210736 [1,1,0,0,0,0|1,0,0]=3 2319 B18R0.7792 CCCCCCCCCCCC(=O)NCCCOC 240690a_100150723488_100000210736 [1,1,0,0,0,0|1,0,0]=3 2320 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 11a_100000749238_100000210736 [1,1,0,0,0,0|1,0,0]=3 2321 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 1626a_100000749238_100000210736 [1,1,0,0,0,0|1,0,0]=3 2322 B18R0.7792 CCCCCCCCCCCC(=O)NCCCSC 240690a_100000749238_100000210736 [1,1,0,0,0,0|1,0,0]=3 2323 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 11a_100011200944_100000210736 [1,1,0,0,0,0|1,0,0]=3 2324 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 1626a_102516460346_100000210736 [1,1,0,0,0,0|1,0,0]=3 2325 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 240690a_100011200944_100000210736 [1,1,0,0,0,0|1,0,0]=3 2326 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 34a_100007860320_100000210202 [1,1,0,0,0,0|1,0,0]=3 2327 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCC 7a_100007860320_100000210202 [1,1,0,0,0,0|1,0,0]=3 2328 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCF 34a_100007860320_100015361967 [1,1,0,0,0,0|2,0,0]=4 2329 B18R0.7792 CCCCCCCCCCCC(=O)NCCOCF 7a_100007860320_100015361967 [1,1,0,0,0,0|2,0,0]=4 2330 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 11a_100000106463_100000210736 [1,1,0,0,0,0|1,0,0]=3 2331 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 1626a_100000106463_100000210736 [1,1,0,0,0,0|1,0,0]=3 2332 B18R0.7792 CCCCCCCCCCCC(=O)NCCSCC 240690a_100000106463_100000210736 [1,1,0,0,0,0|1,0,0]=3 2333 B18R0.7792 CCCCCCCCCCCC(=O)NNCCCC 22a_100025702795_100000210736 [1,1,0,0,0,0|1,0,0]=3 2334 B18R0.7792 CCCCCCCCCCCC(=O)NNCCOC 22a_100000741390_100000210736 [1,1,0,0,0,0|2,0,0]=4 2335 B18R0.7792 CCCCCCCCCCCC(=O)OCCNCC 2230a_100015525214_100000091854 [1,1,0,0,0,0|0,0,0]=2 2336 B18R0.7792 CCCCCCCCCCCC(=O)OCCOCC 34a_100121572206_100000091854 [1,1,0,0,0,0|0,0,0]=2 2337 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCC 62a_100000210202_100000091854 [1,1,0,0,0,0|0,0,0]=2 2338 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCF 62a_100015361967_100000091854 [1,1,0,0,0,0|1,0,0]=3 2339 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCF 34a_100000724931_100020644155 [1,1,0,0,0,0|1,0,0]=3 2340 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 2230a_100016997473_100020644155 [1,1,0,0,0,0|1,0,0]=3 2341 B18R0.7792 CCCCCCCCCCCC(=O)OCNCCO 34a_100016990907_100020644155 [1,1,0,0,0,0|1,0,0]=3 2342 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCBr 34a_100000211926_100020644155 [1,1,0,0,0,0|1,0,0]=3 2343 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCC 34a_100000210258_100020644155 [1,1,0,0,0,0|0,0,0]=2 2344 B18R0.7792 CCCCCCCCCCCC(=O)OCOCCN 34a_100000210304_100020644155 [1,1,0,0,0,0|1,0,0]=3 2345 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC#N 62a_100011215382_100020644155 [1,1,0,0,0,0|1,0,1]=4 2346 B18R0.7792 CCCCCCCCCCCC(=O)OCSCC=O 62a_200015260668_100020644155 [1,1,0,0,0,0|1,0,1]=4 2347 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCC 62a_100000210303_100020644155 [1,1,0,0,0,0|0,0,0]=2 2348 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCF 62a_100011217306_100020644155 [1,1,0,0,0,0|1,0,0]=3 2349 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCO 62a_100000211926_100020644155 [1,1,0,0,0,0|1,0,0]=3 2350 B18R0.7792 CCCCCCCCCCCC(=O)OCSCOC 62a_100000766300_100020644155 [1,1,0,0,0,0|1,0,0]=3 2351 B18R0.7792 CCCCCCCCCCCC(=O)OCSCSC 62a_100011218213_100020644155 [1,1,0,0,0,0|1,0,0]=3 2352 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 11a_100000684558_100102632555 [1,1,0,0,0,0|2,0,0]=4 2353 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 1626a_100000684558_100102632555 [1,1,0,0,0,0|2,0,0]=4 2354 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 240690a_100000684558_100102632555 [1,1,0,0,0,0|2,0,0]=4 2355 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCC 527a_100000684558_100102632555 [1,1,0,0,0,0|2,0,0]=4 2356 B18R0.7792 CCCCCCCCCCNC(=O)CCCCCO 240690a_100000684558_100102619762 [1,1,0,0,0,0|2,0,0]=4 2357 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 11a_100000684558_100000757543 [1,1,0,0,0,0|1,0,0]=3 2358 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 1626a_100000684558_100000757543 [1,1,0,0,0,0|1,0,0]=3 2359 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 240690a_100000684558_100000757543 [1,1,0,0,0,0|1,0,0]=3 2360 B18R0.7792 CCCCCCCCCCNC(=O)COCCCC 527a_100000684558_100000757543 [1,1,0,0,0,0|1,0,0]=3 2361 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 11a_100000684558_100000211095 [1,1,0,0,0,0|2,0,0]=4 2362 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 1626a_100000684558_100000211095 [1,1,0,0,0,0|2,0,0]=4 2363 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 240690a_100000684558_100000211095 [1,1,0,0,0,0|2,0,0]=4 2364 B18R0.7792 CCCCCCCCCCNC(=O)COCCOC 527a_100000684558_100000211095 [1,1,0,0,0,0|2,0,0]=4 2365 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 11a_100000684558_100000191162 [1,1,0,0,0,0|1,1,0]=4 2366 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 1626a_100000684558_100000191162 [1,1,0,0,0,0|1,1,0]=4 2367 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 240690a_100000684558_100000191162 [1,1,0,0,0,0|1,1,0]=4 2368 B18R0.7792 CCCCCCCCCCNC(=O)CSCCCC 527a_100000684558_100000191162 [1,1,0,0,0,0|1,1,0]=4 2369 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 2708a_100000209983_100000684558 [1,1,0,0,0,0|2,0,0]=4 2370 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 2708a_100000684558_100000209983 [1,1,0,0,0,0|2,0,0]=4 2371 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 273464a_100000209983_100000684558 [1,1,0,0,0,0|2,0,0]=4 2372 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 273464a_100000684558_100000209983 [1,1,0,0,0,0|2,0,0]=4 2373 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 512a_100000209983_100000684558 [1,1,0,0,0,0|2,0,0]=4 2374 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCC 512a_100000684558_100000209983 [1,1,0,0,0,0|2,0,0]=4 2375 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000684558_100000750430 [1,1,0,0,0,0|2,0,0]=4 2376 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 2708a_100000750430_100000684558 [1,1,0,0,0,0|2,0,0]=4 2377 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000684558_100000750430 [1,1,0,0,0,0|2,0,0]=4 2378 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 273464a_100000750430_100000684558 [1,1,0,0,0,0|2,0,0]=4 2379 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000684558_100000750430 [1,1,0,0,0,0|2,0,0]=4 2380 B18R0.7792 CCCCCCCCCCNC(=O)NCCCCO 512a_100000750430_100000684558 [1,1,0,0,0,0|2,0,0]=4 2381 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 2708a_100000684558_100150723488 [1,1,0,0,0,0|2,0,0]=4 2382 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 2708a_100150723488_100000684558 [1,1,0,0,0,0|2,0,0]=4 2383 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 273464a_100000684558_100150723488 [1,1,0,0,0,0|2,0,0]=4 2384 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 273464a_100150723488_100000684558 [1,1,0,0,0,0|2,0,0]=4 2385 B18R0.7792 CCCCCCCCCCNC(=O)NCCCOC 512a_100000684558_100150723488 [1,1,0,0,0,0|2,0,0]=4 2386 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 2708a_100000684558_100000749238 [1,1,0,0,0,0|2,0,0]=4 2387 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 2708a_100000749238_100000684558 [1,1,0,0,0,0|2,0,0]=4 2388 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 273464a_100000684558_100000749238 [1,1,0,0,0,0|2,0,0]=4 2389 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 273464a_100000749238_100000684558 [1,1,0,0,0,0|2,0,0]=4 2390 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 512a_100000684558_100000749238 [1,1,0,0,0,0|2,0,0]=4 2391 B18R0.7792 CCCCCCCCCCNC(=O)NCCCSC 512a_100000749238_100000684558 [1,1,0,0,0,0|2,0,0]=4 2392 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 2708a_100000684558_100011200944 [1,1,0,0,0,0|2,0,0]=4 2393 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 2708a_100011200944_100000684558 [1,1,0,0,0,0|2,0,0]=4 2394 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 273464a_100000684558_102516460346 [1,1,0,0,0,0|2,0,0]=4 2395 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 273464a_102516460346_100000684558 [1,1,0,0,0,0|2,0,0]=4 2396 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 512a_100000684558_100011200944 [1,1,0,0,0,0|2,0,0]=4 2397 B18R0.7792 CCCCCCCCCCNC(=O)NCCOCC 512a_100011200944_100000684558 [1,1,0,0,0,0|2,0,0]=4 2398 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 2708a_100000106463_100000684558 [1,1,0,0,0,0|2,0,0]=4 2399 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 2708a_100000684558_100000106463 [1,1,0,0,0,0|2,0,0]=4 2400 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 273464a_100000106463_100000684558 [1,1,0,0,0,0|2,0,0]=4 2401 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 273464a_100000684558_100000106463 [1,1,0,0,0,0|2,0,0]=4 2402 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 512a_100000106463_100000684558 [1,1,0,0,0,0|2,0,0]=4 2403 B18R0.7792 CCCCCCCCCCNC(=O)NCCSCC 512a_100000684558_100000106463 [1,1,0,0,0,0|2,0,0]=4 2404 B18R0.7792 CCCCCCCCCCNC(=O)NNCCCC 273464a_100000684558_100025702795 [1,1,0,0,0,0|2,0,0]=4 2405 B18R0.7792 CCCCCCCCCCNC(=O)NNCCCC 512a_100000684558_100025702795 [1,1,0,0,0,0|2,0,0]=4 2406 B18R0.7792 CCCCCCCCCCNC(=O)NNCCCC 512a_100025702795_100000684558 [1,1,0,0,0,0|2,0,0]=4 2407 B18R0.7792 CCCCCCCCCCOC(=O)CNCCCC 2230a_100000102301_100000210668 [1,1,0,0,0,0|2,0,0]=4 2408 B18R0.7792 CCCCCCCCCCOC(=O)CNCCCC 7a_106832991798_100000210668 [1,1,0,0,0,0|2,0,0]=4 2409 B18R0.7792 CCCCCCCCCCOC(=O)COCCCBr 34a_100011217188_100000210668 [1,1,0,0,0,0|2,0,0]=4 2410 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 34a_100000210227_100000210668 [1,1,0,0,0,0|1,0,0]=3 2411 B18R0.7792 CCCCCCCCCCOC(=O)COCCCC 7a_100000210227_100000210668 [1,1,0,0,0,0|1,0,0]=3 2412 B18R0.7792 CCCCCCCCCCOC(=O)COCCCCl 34a_100000230001_100000210668 [1,1,0,0,0,0|2,0,0]=4 2413 B18R0.7792 CCCCCCCCCCOC(=O)COCCCF 34a_100000759539_100000210668 [1,1,0,0,0,0|2,0,0]=4 2414 B18R0.7792 CCCCCCCCCCOC(=O)COCCCN 34a_100000182051_100000210668 [1,1,0,0,0,0|2,0,0]=4 2415 B18R0.7792 CCCCCCCCCCOC(=O)COCCOC 34a_100000210237_100000210668 [1,1,0,0,0,0|2,0,0]=4 2416 B18R0.7792 CCCCCCCCCCOC(=O)COCCSC 34a_100000230434_100000210668 [1,1,0,0,0,0|2,0,0]=4 2417 B18R0.7792 CCCCCCCCCCOC(=O)COCCSC 7a_100000230434_100000210668 [1,1,0,0,0,0|2,0,0]=4 2418 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCC 62a_100000210211_100000680656 [1,1,0,0,0,0|1,1,0]=4 2419 B18R0.7792 CCCCCCCCCCOC(=O)CSCCCC 62a_100000680656_100000210210 [1,1,0,0,0,0|1,1,0]=4 2420 B18R0.7792 CCCCCCCCCNCC(=O)NCCCCC 2230a_100000212291_100000230301 [1,1,0,0,0,0|2,0,0]=4 2421 B18R0.7792 CCCCCCCCCNCC(=O)NCCCCC 34a_100000212291_100000230301 [1,1,0,0,0,0|2,0,0]=4 2422 B18R0.7792 CCCCCCCCCNCC(=O)NCCCOC 2230a_100000212291_100000183178 [1,1,0,0,0,0|2,0,0]=4 2423 B18R0.7792 CCCCCCCCCNCC(=O)NCCCOC 34a_100000212291_100000183178 [1,1,0,0,0,0|2,0,0]=4 2424 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 2230a_100000212291_200000101388 [1,1,0,0,0,0|1,0,0]=3 2425 B18R0.7792 CCCCCCCCCNCC(=O)OCCOCC 34a_100000212291_200000101388 [1,1,0,0,0,0|1,0,0]=3 2426 B18R0.7792 CCCCCCCCCOCC(=O)NCCCCC 34a_100000210712_100000230301 [1,1,0,0,0,0|2,0,0]=4 2427 B18R0.7792 CCCCCCCCCOCC(=O)NCCCCC 7a_100000210712_100000230301 [1,1,0,0,0,0|2,0,0]=4 2428 B18R0.7792 CCCCCCCCCOCC(=O)NCCCOC 34a_100000210712_100000183178 [1,1,0,0,0,0|2,0,0]=4 2429 B18R0.7792 CCCCCCCCCOCC(=O)NCCCOC 7a_100000210712_100000183178 [1,1,0,0,0,0|2,0,0]=4 2430 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 34a_100000210712_200000101388 [1,1,0,0,0,0|1,0,0]=3 2431 B18R0.7792 CCCCCCCCCOCC(=O)OCCOCC 7a_100000210712_200000101388 [1,1,0,0,0,0|1,0,0]=3 2432 B18R0.7792 CCCCCCCCCSCC(=O)NCCCCC 62a_100000230301_100000210670 [1,1,0,0,0,0|2,0,0]=4 2433 B18R0.7792 CCCCCCCCCSCC(=O)NCCCOC 62a_100000183178_100000210670 [1,1,0,0,0,0|2,0,0]=4 2434 B18R0.7792 CCCCCCCCCSCC(=O)OCCOCC 62a_200000101388_100000210670 [1,1,0,0,0,0|1,0,0]=3 2435 B18R0.7792 CCCCCCOCCOCC(=O)OCCOCC 34a_100000691444_200000101388 [1,1,0,0,0,0|2,0,0]=4 2436 B18R0.7792 CCCCCCOCCOCC(=O)OCCOCC 7a_100000691444_200000101388 [1,1,0,0,0,0|2,0,0]=4 2437 B18R0.7792 CCCCCNC(=O)CCCCCCCCCCO 240690a_100000209983_200000016029 [1,1,0,0,0,0|2,0,0]=4 2438 B18R0.7792 CCCCNCCCCOCC(=O)OCCOCC 34a_200011216965_200000101388 [1,1,0,0,0,0|2,0,0]=4 2439 B18R0.7792 CCCCNNC(=O)CCCCCCCCCCO 22a_100025702795_200000016029 [1,1,0,0,0,0|2,0,0]=4 2440 B18R0.7792 CCCCOCC(=O)NCCCCCCCCCO 240690a_100000078944_100000757543 [1,1,0,0,0,0|2,0,0]=4 2441 B18R0.7792 CCCCOCCCCOCC(=O)OCCOCC 34a_200000760531_200000101388 [1,1,0,0,0,0|2,0,0]=4 2442 B18R0.7792 CCCCOCCCCOCC(=O)OCCOCC 7a_200000760531_200000101388 [1,1,0,0,0,0|2,0,0]=4 2443 B18R0.7792 CCOCCNC(=O)CCCCCCCCCCO 240690a_100011200944_200000016029 [1,1,0,0,0,0|2,0,0]=4 2444 B18R0.7792 CCOCCOC(=O)CNCCCCCCCCO 2230a_102515433106_200000101388 [1,1,0,0,0,0|2,0,0]=4 2445 B18R0.7792 CCOCCOC(=O)CNCCCCCCCCO 34a_102515433106_200000101388 [1,1,0,0,0,0|2,0,0]=4 2446 B18R0.7792 CCOCCOC(=O)COCCCCCCCCBr 34a_100009813846_200000101388 [1,1,0,0,0,0|2,0,0]=4 2447 B18R0.7792 CCOCCOC(=O)COCCCCCCCCBr 7a_100009813846_200000101388 [1,1,0,0,0,0|2,0,0]=4 2448 B18R0.7792 CCOCCOC(=O)COCCCCCCCCCl 34a_100000033203_200000101388 [1,1,0,0,0,0|2,0,0]=4 2449 B18R0.7792 CCOCCOC(=O)COCCCCCCCCCl 7a_100000033203_200000101388 [1,1,0,0,0,0|2,0,0]=4 2450 B18R0.7792 CCOCCOC(=O)COCCCCCCCCN 34a_102515433106_200000101388 [1,1,0,0,0,0|2,0,0]=4 2451 B18R0.7792 CCOCCOC(=O)CSCCCCCCCCO 62a_100000033203_200000101388 [1,1,0,0,0,0|2,0,0]=4 2452 B18R0.7792 CCOCCOC(=O)CSCCCCCCCCO 62a_200000101388_100000033203 [1,1,0,0,0,0|2,0,0]=4 2453 B18R0.7792 CCSCCNC(=O)CCCCCCCCCCO 240690a_100000106463_200000016029 [1,1,0,0,0,0|2,0,0]=4 2454 B18R0.7792 COCCCNC(=O)CCCCCCCCCCO 240690a_100150723488_200000016029 [1,1,0,0,0,0|2,0,0]=4 2455 B18R0.7792 CSCCCNC(=O)CCCCCCCCCCO 240690a_100000749238_200000016029 [1,1,0,0,0,0|2,0,0]=4 2456 B18R0.7792 O=C(CCCCCCCCCCO)NCCCCO 240690a_100000750430_200000016029 [1,1,0,0,0,0|2,0,0]=4 2457 B18R0.7795 CCC(C)CCC(=O)CCCCCCCCCCO 1458a_100000701222_100009813290 [1,1,0,0,0,0|2,0,0]=4 2458 B18R0.7795 CCC(C)CNC(=O)CCCCCCCCCCO 240690a_100020588543_200000016029 [1,1,0,0,0,0|2,0,0]=4 2459 B18R0.7795 CCC(O)CNC(=O)CCCCCCCCCCO 240690a_100011218483_200000016029 [1,1,0,0,0,0|2,0,0]=4 2460 B18R0.7795 CCCCCCCCCCCC(=O)CCN(C)CC 1458a_100000755305_100011215454 [1,1,0,0,0,0|2,0,0]=4 2461 B18R0.7795 CCCCCCCCCCCC(=O)CCS(=O)CC 1458a_100011387550_100011215454 [1,1,0,0,0,0|2,0,0]=4 2462 B18R0.7795 CCCCCCCCCCCC(=O)NCC(=O)CC 1458a_100001278556_100000210202 [1,1,0,0,0,0|1,0,1]=4 2463 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210736 [1,1,0,0,0,0|1,0,0]=3 2464 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210736 [1,1,0,0,0,0|1,0,0]=3 2465 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210736 [1,1,0,0,0,0|1,0,0]=3 2466 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CO 240690a_100000744482_100000210736 [1,1,0,0,0,0|2,0,0]=4 2467 B18R0.7795 CCCCCCCCCCCC(=O)NCC(O)CC 11a_100011218483_100000210736 [1,1,0,0,0,0|1,0,0]=3 2468 B18R0.7795 CCCCCCCCCCCC(=O)NCC(O)CC 240690a_100011218483_100000210736 [1,1,0,0,0,0|1,0,0]=3 2469 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210736 [1,1,0,0,0,0|2,0,0]=4 2470 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210736 [1,1,0,0,0,0|2,0,0]=4 2471 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210736 [1,1,0,0,0,0|2,0,0]=4 2472 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210736 [1,1,0,0,0,0|2,0,0]=4 2473 B18R0.7795 CCCCCCCCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210736 [1,1,0,0,0,0|2,0,0]=4 2474 B18R0.7795 CCCCCCCCCCCC(=O)NNC(C)CC 22a_100000718999_100000210736 [1,1,0,0,0,0|2,0,0]=4 2475 B18R0.7795 CCCCCCCCCCCC(=O)OCC(=O)CC 1458a_100000210414_100020644155 [1,1,0,0,0,0|0,0,1]=3 2476 B18R0.7795 CCCCCCCCCCCC(=O)OCC(=O)CO 1458a_100000210174_100020644155 [1,1,0,0,0,0|1,0,1]=4 2477 B18R0.7795 CCCCCCCCCCCC(=O)OCN(C)CC 2230a_100000225621_100020644155 [1,1,0,0,0,0|1,0,0]=3 2478 B18R0.7795 CCCCCCCCCCCC(=O)OCN(C)CC 269982a_100000225621_100020644155 [1,1,0,0,0,0|1,0,0]=3 2479 B18R0.7795 CCCCCCCCCCCC(C)OCC(O)CC 34a_100011217895_100011218378 [1,1,0,0,0,0|1,0,1]=4 2480 B18R0.7795 CCCCCCCCCCCC(C)OCC(O)CC 7a_100011217895_100011218378 [1,1,0,0,0,0|1,0,1]=4 2481 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 11a_100000684558_100000701222 [1,1,0,0,0,0|2,0,0]=4 2482 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 1626a_100000684558_100000701222 [1,1,0,0,0,0|2,0,0]=4 2483 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 240690a_100000684558_100000701222 [1,1,0,0,0,0|2,0,0]=4 2484 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 527a_100000684558_100000701222 [1,1,0,0,0,0|2,0,0]=4 2485 B18R0.7795 CCCCCCCCCCNC(=O)CCC(O)CC 1626a_100000684558_203496584001 [1,1,0,0,0,0|2,0,0]=4 2486 B18R0.7795 CCCCCCCCCCNC(=O)CCC(O)CC 240690a_100000684558_203496584001 [1,1,0,0,0,0|2,0,0]=4 2487 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CC 2708a_100000684558_100020588543 [1,1,0,0,0,0|2,0,0]=4 2488 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CC 2708a_100020588543_100000684558 [1,1,0,0,0,0|2,0,0]=4 2489 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CC 273464a_100000684558_100020588543 [1,1,0,0,0,0|2,0,0]=4 2490 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CC 273464a_100020588543_100000684558 [1,1,0,0,0,0|2,0,0]=4 2491 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CC 512a_100000684558_100020588543 [1,1,0,0,0,0|2,0,0]=4 2492 B18R0.7795 CCCCCCCCCCNC(=O)NCC(C)CC 512a_100020588543_100000684558 [1,1,0,0,0,0|2,0,0]=4 2493 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 2708a_100000684558_100011218483 [1,1,0,0,0,0|2,0,0]=4 2494 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 273464a_100000684558_100011218483 [1,1,0,0,0,0|2,0,0]=4 2495 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 273464a_100011218483_100000684558 [1,1,0,0,0,0|2,0,0]=4 2496 B18R0.7795 CCCCCCCCCCNC(=O)NCC(O)CC 512a_100011218483_100000684558 [1,1,0,0,0,0|2,0,0]=4 2497 B18R0.7796 CCCCC(C)C(=O)CCCCCCCCCCO 1458a_100000725509_100009813290 [1,1,0,0,0,0|2,0,0]=4 2498 B18R0.7796 CCCCC(O)C(=O)CCCCCCCCCCO 1458a_100000720857_100009813290 [1,1,0,0,0,0|2,0,0]=4 2499 B18R0.7796 CCCCCCCCCCCC(=O)C(=O)NCCC 1458a_200011297150_100011215454 [1,1,0,0,0,0|2,0,0]=4 2500 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215454 [1,1,0,0,0,0|1,0,0]=3 2501 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCSC 1458a_100000685904_100011215454 [1,1,0,0,0,0|2,0,0]=4 2502 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210736 [1,1,0,0,0,0|1,0,0]=3 2503 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210736 [1,1,0,0,0,0|1,0,0]=3 2504 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210736 [1,1,0,0,0,0|1,0,0]=3 2505 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCO 240690a_100000213112_100000210736 [1,1,0,0,0,0|2,0,0]=4 2506 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC 11a_100000743101_100000210736 [1,1,0,0,0,0|2,0,0]=4 2507 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC 1626a_100000743101_100000210736 [1,1,0,0,0,0|2,0,0]=4 2508 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCOC 240690a_100000743101_100000210736 [1,1,0,0,0,0|2,0,0]=4 2509 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCSC 11a_100000686725_100000210736 [1,1,0,0,0,0|2,0,0]=4 2510 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCSC 1626a_100000686725_100000210736 [1,1,0,0,0,0|2,0,0]=4 2511 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCSC 240690a_100000686725_100000210736 [1,1,0,0,0,0|2,0,0]=4 2512 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 11a_100000684558_100000725509 [1,1,0,0,0,0|2,0,0]=4 2513 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 1626a_100000684558_100000725509 [1,1,0,0,0,0|2,0,0]=4 2514 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 240690a_100000684558_100000725509 [1,1,0,0,0,0|2,0,0]=4 2515 B18R0.7796 CCCCCCCCCCNC(=O)C(C)CCCC 527a_100000684558_100000725509 [1,1,0,0,0,0|2,0,0]=4 2516 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCCC 240690a_100000684558_100000720857 [1,1,0,0,0,0|2,0,0]=4 2517 B18R0.7796 CCCCCCCCCCNC(=O)C(O)CCCC 527a_100000684558_100000720857 [1,1,0,0,0,0|2,0,0]=4 2518 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCC 2708a_100000684558_100000207549 [1,1,0,0,0,0|2,0,0]=4 2519 B18R0.7796 CCCCCCCCCCNC(=O)N(C)CCCC 273464a_100000684558_100000207549 [1,1,0,0,0,0|2,0,0]=4 2520 B18R0.7796 CCCCCCCCCNCC(=O)N(C)CCCC 2230a_100000212291_100000230175 [1,1,0,0,0,0|2,0,0]=4 2521 B18R0.7796 CCCCCCCCCNCC(=O)N(C)CCCC 34a_100000212291_100000230175 [1,1,0,0,0,0|2,0,0]=4 2522 B18R0.7796 CCCCCCCCCOCC(=O)N(C)CCCC 34a_100000210712_100000230175 [1,1,0,0,0,0|2,0,0]=4 2523 B18R0.7796 CCCCCCCCCOCC(=O)N(C)CCCC 7a_100000210712_100000230175 [1,1,0,0,0,0|2,0,0]=4 2524 B18R0.7796 CCCCCCCCCSCC(=O)N(C)CCCC 62a_100000230175_100000210670 [1,1,0,0,0,0|2,0,0]=4 2525 B18R0.7796 CCCCN(C)C(=O)CCCCCCCCCCO 240690a_100000207549_200000016029 [1,1,0,0,0,0|2,0,0]=4 2526 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 11a_100000207566_100000212188 [1,1,0,0,0,0|2,0,0]=4 2527 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 1626a_100000207566_100000212188 [1,1,0,0,0,0|2,0,0]=4 2528 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 240690a_100000207566_100000212188 [1,1,0,0,0,0|2,0,0]=4 2529 B18R0.11006 CCCCCCCCCCN(C)C(=O)CCCCC 527a_100000207566_100000212188 [1,1,0,0,0,0|2,0,0]=4 2530 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCC 2708a_100000102301_100000207566 [1,1,0,0,0,0|2,0,0]=4 2531 B18R0.11006 CCCCCCCCCCN(C)C(=O)NCCCC 273464a_100000102301_100000207566 [1,1,0,0,0,0|2,0,0]=4 2532 B18R0.11006 CCCCCCCCCNC(C)C(=O)NCCCC 2230a_100000212291_100000735917 [1,1,0,0,0,0|2,0,0]=4 2533 B18R0.11006 CCCCCCCCCNC(C)C(=O)NCCCC 34a_100000212291_100000735917 [1,1,0,0,0,0|2,0,0]=4 2534 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 2230a_100000212291_100000759602 [1,1,0,0,0,0|1,0,0]=3 2535 B18R0.11006 CCCCCCCCCNC(C)C(=O)OCCCC 34a_100000212291_100000759602 [1,1,0,0,0,0|1,0,0]=3 2536 B18R0.11006 CCCCCCCCCOC(C)C(=O)NCCCC 34a_100000210712_100000735917 [1,1,0,0,0,0|2,0,0]=4 2537 B18R0.11006 CCCCCCCCCOC(C)C(=O)NCCCC 7a_100000210712_100000735917 [1,1,0,0,0,0|2,0,0]=4 2538 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000038973_100011214924 [1,1,0,0,0,0|1,0,0]=3 2539 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 34a_100000210712_100000759602 [1,1,0,0,0,0|1,0,0]=3 2540 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000038973_100000210328 [1,1,0,0,0,0|1,0,0]=3 2541 B18R0.11006 CCCCCCCCCOC(C)C(=O)OCCCC 7a_100000210712_100000759602 [1,1,0,0,0,0|1,0,0]=3 2542 B18R0.11006 CCCCCCCCCSC(C)C(=O)NCCCC 62a_100000735917_100000210670 [1,1,0,0,0,0|2,0,0]=4 2543 B18R0.11006 CCCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210670 [1,1,0,0,0,0|1,0,0]=3 2544 B18R0.11006 CCCCCCOCCOC(C)C(=O)OCCCC 34a_100000691444_100000759602 [1,1,0,0,0,0|2,0,0]=4 2545 B18R0.11006 CCCCCCOCCOC(C)C(=O)OCCCC 7a_100000691444_100000759602 [1,1,0,0,0,0|2,0,0]=4 2546 B18R0.11006 CCCCNCCCCOC(C)C(=O)OCCCC 34a_200011216965_100000759602 [1,1,0,0,0,0|2,0,0]=4 2547 B18R0.11006 CCCCOC(=O)C(C)NCCCCCCCCO 2230a_102515433106_100000759602 [1,1,0,0,0,0|2,0,0]=4 2548 B18R0.11006 CCCCOC(=O)C(C)NCCCCCCCCO 34a_102515433106_100000759602 [1,1,0,0,0,0|2,0,0]=4 2549 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCBr 34a_100009813846_100000759602 [1,1,0,0,0,0|2,0,0]=4 2550 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCBr 7a_100009813846_100000759602 [1,1,0,0,0,0|2,0,0]=4 2551 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCCl 34a_100000033203_100000759602 [1,1,0,0,0,0|2,0,0]=4 2552 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCCl 7a_100000033203_100000759602 [1,1,0,0,0,0|2,0,0]=4 2553 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCN 34a_102515433106_100000759602 [1,1,0,0,0,0|2,0,0]=4 2554 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCO 34a_100000038973_100000033203 [1,1,0,0,0,0|2,0,0]=4 2555 B18R0.11006 CCCCOC(=O)C(C)OCCCCCCCCO 7a_100000038973_100000033203 [1,1,0,0,0,0|2,0,0]=4 2556 B18R0.11006 CCCCOC(=O)C(C)SCCCCCCCCO 62a_100000033203_100000759602 [1,1,0,0,0,0|2,0,0]=4 2557 B18R0.11006 CCCCOC(=O)C(C)SCCCCCCCCO 62a_100000759602_100000033203 [1,1,0,0,0,0|2,0,0]=4 2558 B18R0.11006 CCCCOCCCCOC(C)C(=O)OCCCC 34a_200000760531_100000759602 [1,1,0,0,0,0|2,0,0]=4 2559 B18R0.11006 CCCCOCCCCOC(C)C(=O)OCCCC 7a_200000760531_100000759602 [1,1,0,0,0,0|2,0,0]=4 2560 B18R0.13118 CCCCC(C)CCCCOCC(=O)OCCOC 34a_200011021034_200000040189 [1,1,0,0,0,0|2,0,0]=4 2561 B18R0.13118 CCCCC(C)CCCCOCC(=O)OCCOC 7a_200011021034_200000040189 [1,1,0,0,0,0|2,0,0]=4 2562 B18R0.13118 CCCCCC(=O)COCCCCC(C)CCCC 34a_200011021034_200012276598 [1,1,0,0,0,0|2,0,0]=4 2563 B18R0.13118 CCCCCC(=O)COCCCCC(C)CCCC 7a_200011021034_200012276598 [1,1,0,0,0,0|2,0,0]=4 2564 B18R0.13118 CCCCNC(=O)COCCCCC(C)CCCC 34a_200011021034_100000182744 [1,1,0,0,0,0|2,0,0]=4 2565 B18R0.13118 CCCCNC(=O)COCCCCC(C)CCCC 7a_200011021034_100000182744 [1,1,0,0,0,0|2,0,0]=4 2566 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 34a_200011021034_100000211628 [1,1,0,0,0,0|1,0,0]=3 2567 B18R0.13118 CCCCOC(=O)COCCCCC(C)CCCC 7a_200011021034_100000211628 [1,1,0,0,0,0|1,0,0]=3 2568 B18R0.19321 CCCCCCCCCC(=O)CC(=O)CCCCC 1458a_100000210558_200012276598 [1,1,0,0,0,0|1,0,1]=4 2569 B18R0.19321 CCCCCCCCCC(=O)CC(=O)NCCCC 1458a_100000210558_100000182744 [1,1,0,0,0,0|1,0,1]=4 2570 B18R0.19321 CCCCCCCCCC(=O)CC(=O)OCCCC 1458a_100000210558_100000211628 [1,1,0,0,0,0|0,0,1]=3 2571 B18R0.19321 CCCCCCCCCC(=O)CC(=O)OCCOC 1458a_100000210558_200000040189 [1,1,0,0,0,0|1,0,1]=4 2572 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCC 1626a_100000102301_200012339438 [1,1,0,0,0,0|1,0,0]=3 2573 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCC 240690a_100000102301_200012339438 [1,1,0,0,0,0|1,0,0]=3 2574 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCF 1626a_100015189416_200012339438 [1,1,0,0,0,0|2,0,0]=4 2575 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCF 240690a_100015189416_200012339438 [1,1,0,0,0,0|2,0,0]=4 2576 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCCO 240690a_100000182051_200012339438 [1,1,0,0,0,0|2,0,0]=4 2577 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCOC 1626a_100000209980_200012339438 [1,1,0,0,0,0|2,0,0]=4 2578 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCOC 240690a_100000209980_200012339438 [1,1,0,0,0,0|2,0,0]=4 2579 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCSC 1626a_100020590264_200012339438 [1,1,0,0,0,0|2,0,0]=4 2580 B18R0.19321 CCCCCCCCCC(O)CC(=O)NCCSC 240690a_100020590264_200012339438 [1,1,0,0,0,0|2,0,0]=4 2581 B18R0.19321 CCCCCCCCCC(O)CC(=O)NNCCC 22a_100000740057_200012339438 [1,1,0,0,0,0|2,0,0]=4 2582 B18R0.19321 CCCCCCCCCN(C)CC(=O)CCCCC 2230a_100000232482_200012276598 [1,1,0,0,0,0|2,0,0]=4 2583 B18R0.19321 CCCCCCCCCN(C)CC(=O)CCCCC 269982a_100000232482_200012276598 [1,1,0,0,0,0|2,0,0]=4 2584 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 2230a_100000232482_100000182744 [1,1,0,0,0,0|2,0,0]=4 2585 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 2230a_200000213093_100011214924 [1,1,0,0,0,0|2,0,0]=4 2586 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 269982a_100000232482_100000182744 [1,1,0,0,0,0|2,0,0]=4 2587 B18R0.19321 CCCCCCCCCN(C)CC(=O)NCCCC 269982a_200000213093_100000210670 [1,1,0,0,0,0|2,0,0]=4 2588 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 2230a_100000232482_100000211628 [1,1,0,0,0,0|1,0,0]=3 2589 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCCC 269982a_100000232482_100000211628 [1,1,0,0,0,0|1,0,0]=3 2590 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCOC 2230a_100000232482_200000040189 [1,1,0,0,0,0|2,0,0]=4 2591 B18R0.19321 CCCCCCCCCN(C)CC(=O)OCCOC 269982a_100000232482_200000040189 [1,1,0,0,0,0|2,0,0]=4 2592 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCCC 34a_100000065265_100000211628 [1,1,0,0,0,0|0,0,2]=4 2593 B18R0.19788 C#CCCCCCCCCOCC(=O)OCCCC 7a_100000065265_100000211628 [1,1,0,0,0,0|0,0,2]=4 2594 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCCC 34a_100011215194_100000211628 [1,1,0,0,0,0|0,0,2]=4 2595 B18R0.19788 C=CCCCCCCCCOCC(=O)OCCCC 7a_100011215194_100000211628 [1,1,0,0,0,0|0,0,2]=4 2596 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100011933949 [1,1,0,0,0,0|0,0,2]=4 2597 B18R0.19788 C=CCCCCCCCCSCC(=O)OCCCC 62a_100011933949_100000211628 [1,1,0,0,0,0|0,0,2]=4 2598 B18R0.19788 CCC#CCCCCCCSCC(=O)OCCCC 62a_100000211628_200000036426 [1,1,0,0,0,0|0,0,2]=4 2599 B18R0.19788 CCC#CCCCCCCSCC(=O)OCCCC 62a_200000036426_100000211628 [1,1,0,0,0,0|0,0,2]=4 2600 B18R0.19788 CCCC#CC(=O)CCCCCCCCCCCC 1458a_200011218047_100000759014 [1,1,0,0,0,0|1,0,1]=4 2601 B18R0.19788 CCCC#CC(=O)CCCCCCCCCCCO 1458a_200011218047_100009812471 [1,1,0,0,0,0|1,0,1]=4 2602 B18R0.19788 CCCC#CC(=O)NCCCCCCCCCCC 240690a_200011215754_200011218047 [1,1,0,0,0,0|1,0,1]=4 2603 B18R0.19788 CCCC/C=C/CCCCOCC(=O)OCCCC 34a_200020645093_100000211628 [1,1,0,0,0,0|0,0,2]=4 2604 B18R0.19788 CCCC/C=C/CCCCOCC(=O)OCCCC 7a_200020645093_100000211628 [1,1,0,0,0,0|0,0,2]=4 2605 B18R0.19788 CCCC=CC(=O)CCCCCCCCCCCO 1458a_100000212230_100009812471 [1,1,0,0,0,0|1,0,1]=4 2606 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 11a_200011215754_100000212230 [1,1,0,0,0,0|1,0,1]=4 2607 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 1626a_200011215754_100000212230 [1,1,0,0,0,0|1,0,1]=4 2608 B18R0.19788 CCCC=CC(=O)NCCCCCCCCCCC 240690a_200011215754_100000212230 [1,1,0,0,0,0|1,0,1]=4 2609 B18R0.19788 CCCCC#CCCCCCCC(=O)CCCCC 1458a_100000212188_200000043322 [1,1,0,0,0,0|1,0,1]=4 2610 B18R0.19788 CCCCC#CCCCCOCC(=O)OCCCC 34a_200000066234_100000211628 [1,1,0,0,0,0|0,0,2]=4 2611 B18R0.19788 CCCCC#CCCCCOCC(=O)OCCCC 7a_200000066234_100000211628 [1,1,0,0,0,0|0,0,2]=4 2612 B18R0.19788 CCCCC/C=C\CCCOCC(=O)OCCCC 34a_100020655193_100000211628 [1,1,0,0,0,0|0,0,2]=4 2613 B18R0.19788 CCCCC/C=C\CCCOCC(=O)OCCCC 7a_100020655193_100000211628 [1,1,0,0,0,0|0,0,2]=4 2614 B18R0.19788 CCCCCC(=O)NCCCCCCCCCCO 240690a_100000066964_100000212188 [1,1,0,0,0,0|2,0,0]=4 2615 B18R0.19788 CCCCCCC#CCCOCC(=O)OCCCC 34a_200000033163_100000211628 [1,1,0,0,0,0|0,0,2]=4 2616 B18R0.19788 CCCCCCC#CCCOCC(=O)OCCCC 7a_200000033163_100000211628 [1,1,0,0,0,0|0,0,2]=4 2617 B18R0.19788 CCCCCCCC#CCOCC(=O)OCCCC 34a_200000061759_100000211628 [1,1,0,0,0,0|0,0,2]=4 2618 B18R0.19788 CCCCCCCC#CCOCC(=O)OCCCC 7a_200000061759_100000211628 [1,1,0,0,0,0|0,0,2]=4 2619 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 11a_100000102301_100015291182 [1,1,0,0,0,0|1,0,1]=4 2620 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 1626a_100000102301_100015291182 [1,1,0,0,0,0|1,0,1]=4 2621 B18R0.19788 CCCCCCCCCCC=CC(=O)NCCCC 240690a_100000102301_100015291182 [1,1,0,0,0,0|1,0,1]=4 2622 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100011215791 [1,1,0,0,0,0|1,0,0]=3 2623 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100011215791 [1,1,0,0,0,0|1,0,0]=3 2624 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100011215791 [1,1,0,0,0,0|1,0,0]=3 2625 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 11a_100015189416_100011215791 [1,1,0,0,0,0|2,0,0]=4 2626 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 1626a_100015189416_100011215791 [1,1,0,0,0,0|2,0,0]=4 2627 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCF 240690a_100015189416_100011215791 [1,1,0,0,0,0|2,0,0]=4 2628 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCO 240690a_100000182051_100011215791 [1,1,0,0,0,0|2,0,0]=4 2629 B18R0.19788 CCCCCCCCCCCCC(=O)NCCOC 1626a_100000209980_100011215791 [1,1,0,0,0,0|2,0,0]=4 2630 B18R0.19788 CCCCCCCCCCCCC(=O)NCCOC 240690a_100000209980_100011215791 [1,1,0,0,0,0|2,0,0]=4 2631 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC 11a_100020590264_100011215791 [1,1,0,0,0,0|2,0,0]=4 2632 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC 1626a_100020590264_100011215791 [1,1,0,0,0,0|2,0,0]=4 2633 B18R0.19788 CCCCCCCCCCCCC(=O)NCCSC 240690a_100020590264_100011215791 [1,1,0,0,0,0|2,0,0]=4 2634 B18R0.19788 CCCCCCCCCCCCC(=O)NNCCC 22a_100000740057_100011215791 [1,1,0,0,0,0|2,0,0]=4 2635 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 11a_200011215754_100000212188 [1,1,0,0,0,0|1,0,0]=3 2636 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 1626a_200011215754_100000212188 [1,1,0,0,0,0|1,0,0]=3 2637 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 240690a_200011215754_100000212188 [1,1,0,0,0,0|1,0,0]=3 2638 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 527a_200011215754_100000212188 [1,1,0,0,0,0|1,0,0]=3 2639 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCO 1626a_200011215754_100000695505 [1,1,0,0,0,0|2,0,0]=4 2640 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 11a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 2641 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 1626a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 2642 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 240690a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 2643 B18R0.19788 CCCCCCCCCCCNC(=O)CCCOC 527a_200011215754_100000741012 [1,1,0,0,0,0|2,0,0]=4 2644 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 11a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 2645 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 1626a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 2646 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 240690a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 2647 B18R0.19788 CCCCCCCCCCCNC(=O)CCCSC 527a_200011215754_100000173376 [1,1,0,0,0,0|2,0,0]=4 2648 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 11a_200011215754_100000749530 [1,1,0,0,0,0|2,0,0]=4 2649 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 1626a_200011215754_100000749530 [1,1,0,0,0,0|2,0,0]=4 2650 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 240690a_200011215754_100000749530 [1,1,0,0,0,0|2,0,0]=4 2651 B18R0.19788 CCCCCCCCCCCNC(=O)CCOCC 527a_200011215754_100000749530 [1,1,0,0,0,0|2,0,0]=4 2652 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 11a_200011215754_100000230768 [1,1,0,0,0,0|2,0,0]=4 2653 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 1626a_200011215754_100000230768 [1,1,0,0,0,0|2,0,0]=4 2654 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 240690a_200011215754_100000230768 [1,1,0,0,0,0|2,0,0]=4 2655 B18R0.19788 CCCCCCCCCCCNC(=O)CCSCC 527a_200011215754_100000230768 [1,1,0,0,0,0|2,0,0]=4 2656 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 11a_200011215754_100000745993 [1,1,0,0,0,0|2,0,0]=4 2657 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 1626a_200011215754_100000745993 [1,1,0,0,0,0|2,0,0]=4 2658 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 240690a_200011215754_100000745993 [1,1,0,0,0,0|2,0,0]=4 2659 B18R0.19788 CCCCCCCCCCCNC(=O)COCCC 527a_200011215754_100000745993 [1,1,0,0,0,0|2,0,0]=4 2660 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 11a_200011215754_100000217233 [1,1,0,0,0,0|2,0,0]=4 2661 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 1626a_200011215754_100000217233 [1,1,0,0,0,0|2,0,0]=4 2662 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 240690a_200011215754_100000217233 [1,1,0,0,0,0|2,0,0]=4 2663 B18R0.19788 CCCCCCCCCCCNC(=O)CSCCC 527a_200011215754_100000217233 [1,1,0,0,0,0|2,0,0]=4 2664 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 2708a_100000102301_200011215754 [1,1,0,0,0,0|1,0,0]=3 2665 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 2708a_200011215754_100000102301 [1,1,0,0,0,0|1,0,0]=3 2666 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 273464a_100000102301_200011215754 [1,1,0,0,0,0|1,0,0]=3 2667 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 273464a_200011215754_100000102301 [1,1,0,0,0,0|1,0,0]=3 2668 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 512a_100000102301_200011215754 [1,1,0,0,0,0|1,0,0]=3 2669 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCC 512a_200011215754_100000102301 [1,1,0,0,0,0|1,0,0]=3 2670 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 2708a_100015189416_200011215754 [1,1,0,0,0,0|2,0,0]=4 2671 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 2708a_200011215754_100015189416 [1,1,0,0,0,0|2,0,0]=4 2672 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 273464a_100015189416_200011215754 [1,1,0,0,0,0|2,0,0]=4 2673 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 273464a_200011215754_100015189416 [1,1,0,0,0,0|2,0,0]=4 2674 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 512a_100015189416_200011215754 [1,1,0,0,0,0|2,0,0]=4 2675 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCF 512a_200011215754_100015189416 [1,1,0,0,0,0|2,0,0]=4 2676 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 2708a_200011215754_100000182051 [1,1,0,0,0,0|2,0,0]=4 2677 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_100000182051_200011215754 [1,1,0,0,0,0|2,0,0]=4 2678 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 273464a_200011215754_100000182051 [1,1,0,0,0,0|2,0,0]=4 2679 B18R0.19788 CCCCCCCCCCCNC(=O)NCCCO 512a_200011215754_100000182051 [1,1,0,0,0,0|2,0,0]=4 2680 B18R0.19788 CCCCCCCCCCCNC(=O)NCCOC 2708a_200011215754_100000209980 [1,1,0,0,0,0|2,0,0]=4 2681 B18R0.19788 CCCCCCCCCCCNC(=O)NCCOC 273464a_100000209980_200011215754 [1,1,0,0,0,0|2,0,0]=4 2682 B18R0.19788 CCCCCCCCCCCNC(=O)NCCOC 273464a_200011215754_100000209980 [1,1,0,0,0,0|2,0,0]=4 2683 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 2708a_100020590264_200011215754 [1,1,0,0,0,0|2,0,0]=4 2684 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 2708a_200011215754_100020590264 [1,1,0,0,0,0|2,0,0]=4 2685 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 273464a_100020590264_200011215754 [1,1,0,0,0,0|2,0,0]=4 2686 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 273464a_200011215754_100020590264 [1,1,0,0,0,0|2,0,0]=4 2687 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 512a_100020590264_200011215754 [1,1,0,0,0,0|2,0,0]=4 2688 B18R0.19788 CCCCCCCCCCCNC(=O)NCCSC 512a_200011215754_100020590264 [1,1,0,0,0,0|2,0,0]=4 2689 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCC 273464a_200011215754_100000740057 [1,1,0,0,0,0|2,0,0]=4 2690 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCC 512a_100000740057_200011215754 [1,1,0,0,0,0|2,0,0]=4 2691 B18R0.19788 CCCCCCCCCCCNC(=O)NNCCC 512a_200011215754_100000740057 [1,1,0,0,0,0|2,0,0]=4 2692 B18R0.19788 CCCCCCCCCCNCC(=O)NCCCC 2230a_100000684558_100000182744 [1,1,0,0,0,0|1,0,0]=3 2693 B18R0.19788 CCCCCCCCCCNCC(=O)NCCCC 34a_100000684558_100000182744 [1,1,0,0,0,0|1,0,0]=3 2694 B18R0.19788 CCCCCCCCCCNCC(=O)NCCOC 2230a_100000684558_100000183275 [1,1,0,0,0,0|2,0,0]=4 2695 B18R0.19788 CCCCCCCCCCNCC(=O)NCCOC 2230a_100000754632_100000210320 [1,1,0,0,0,0|2,0,0]=4 2696 B18R0.19788 CCCCCCCCCCNCC(=O)NCCOC 34a_100000684558_100000183275 [1,1,0,0,0,0|2,0,0]=4 2697 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 2230a_100000684558_100000211628 [1,1,0,0,0,0|0,0,0]=2 2698 B18R0.19788 CCCCCCCCCCNCC(=O)OCCCC 34a_100000684558_100000211628 [1,1,0,0,0,0|0,0,0]=2 2699 B18R0.19788 CCCCCCCCCCNCC(=O)OCCOC 2230a_100000684558_200000040189 [1,1,0,0,0,0|1,0,0]=3 2700 B18R0.19788 CCCCCCCCCCNCC(=O)OCCOC 34a_100000684558_200000040189 [1,1,0,0,0,0|1,0,0]=3 2701 B18R0.19788 CCCCCCCCCCOCC(=O)NCCCC 34a_100000210711_100000182744 [1,1,0,0,0,0|1,0,0]=3 2702 B18R0.19788 CCCCCCCCCCOCC(=O)NCCCC 7a_100000210711_100000182744 [1,1,0,0,0,0|1,0,0]=3 2703 B18R0.19788 CCCCCCCCCCOCC(=O)NCCOC 34a_100000210711_100000183275 [1,1,0,0,0,0|2,0,0]=4 2704 B18R0.19788 CCCCCCCCCCOCC(=O)NCCOC 7a_100000210711_100000183275 [1,1,0,0,0,0|2,0,0]=4 2705 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 34a_100000210711_100000211628 [1,1,0,0,0,0|0,0,0]=2 2706 B18R0.19788 CCCCCCCCCCOCC(=O)OCCCC 7a_100000210711_100000211628 [1,1,0,0,0,0|0,0,0]=2 2707 B18R0.19788 CCCCCCCCCCOCC(=O)OCCOC 34a_100000210711_200000040189 [1,1,0,0,0,0|1,0,0]=3 2708 B18R0.19788 CCCCCCCCCCOCC(=O)OCCOC 7a_100000210711_200000040189 [1,1,0,0,0,0|1,0,0]=3 2709 B18R0.19788 CCCCCCCCCCSCC(=O)NCCCC 62a_100000182744_100000210320 [1,1,0,0,0,0|1,0,0]=3 2710 B18R0.19788 CCCCCCCCCCSCC(=O)NCCOC 62a_100000183275_100000210320 [1,1,0,0,0,0|2,0,0]=4 2711 B18R0.19788 CCCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210320 [1,1,0,0,0,0|0,0,0]=2 2712 B18R0.19788 CCCCCCCCCCSCC(=O)OCCOC 62a_200000040189_100000210320 [1,1,0,0,0,0|1,0,0]=3 2713 B18R0.19788 CCCCNC(=O)CCCCCCCCCCCO 240690a_100000102301_100000037981 [1,1,0,0,0,0|1,0,0]=3 2714 B18R0.19788 CCCCNC(=O)CNCCCCCCCCCO 2230a_100000078944_100000182744 [1,1,0,0,0,0|2,0,0]=4 2715 B18R0.19788 CCCCNC(=O)CNCCCCCCCCCO 34a_100000078944_100000182744 [1,1,0,0,0,0|2,0,0]=4 2716 B18R0.19788 CCCCNC(=O)COCCCCCCCCCBr 34a_100009813782_100000182744 [1,1,0,0,0,0|2,0,0]=4 2717 B18R0.19788 CCCCNC(=O)COCCCCCCCCCBr 7a_100009813782_100000182744 [1,1,0,0,0,0|2,0,0]=4 2718 B18R0.19788 CCCCNC(=O)COCCCCCCCCCCl 34a_100009868337_100000182744 [1,1,0,0,0,0|2,0,0]=4 2719 B18R0.19788 CCCCNC(=O)COCCCCCCCCCCl 7a_100009868337_100000182744 [1,1,0,0,0,0|2,0,0]=4 2720 B18R0.19788 CCCCNC(=O)COCCCCCCCCCN 34a_100000078944_100000182744 [1,1,0,0,0,0|2,0,0]=4 2721 B18R0.19788 CCCCNC(=O)CSCCCCCCCCCO 62a_100000182744_100009813782 [1,1,0,0,0,0|2,0,0]=4 2722 B18R0.19788 CCCCNC(=O)CSCCCCCCCCCO 62a_100009813782_100000182744 [1,1,0,0,0,0|2,0,0]=4 2723 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000102301 [1,1,0,0,0,0|2,0,0]=4 2724 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 2708a_100000102301_100000066964 [1,1,0,0,0,0|2,0,0]=4 2725 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000102301 [1,1,0,0,0,0|2,0,0]=4 2726 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 273464a_100000102301_100000066964 [1,1,0,0,0,0|2,0,0]=4 2727 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000102301 [1,1,0,0,0,0|2,0,0]=4 2728 B18R0.19788 CCCCNC(=O)NCCCCCCCCCCO 512a_100000102301_100000066964 [1,1,0,0,0,0|2,0,0]=4 2729 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_100000211628 [1,1,0,0,0,0|1,0,0]=3 2730 B18R0.19788 CCCCOC(=O)CNCCCCCCCCCO 34a_100000078944_100000211628 [1,1,0,0,0,0|1,0,0]=3 2731 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 34a_100009813782_100000211628 [1,1,0,0,0,0|1,0,0]=3 2732 B18R0.19788 CCCCOC(=O)COCCCCCCCCCBr 7a_100009813782_100000211628 [1,1,0,0,0,0|1,0,0]=3 2733 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 34a_100009868337_100000211628 [1,1,0,0,0,0|1,0,0]=3 2734 B18R0.19788 CCCCOC(=O)COCCCCCCCCCCl 7a_100009868337_100000211628 [1,1,0,0,0,0|1,0,0]=3 2735 B18R0.19788 CCCCOC(=O)COCCCCCCCCCN 34a_100000078944_100000211628 [1,1,0,0,0,0|1,0,0]=3 2736 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100000211628_100009813782 [1,1,0,0,0,0|1,0,0]=3 2737 B18R0.19788 CCCCOC(=O)CSCCCCCCCCCO 62a_100009813782_100000211628 [1,1,0,0,0,0|1,0,0]=3 2738 B18R0.19788 CCCCOCCOCCOCC(=O)OCCCC 34a_100011215186_100000211628 [1,1,0,0,0,0|2,0,0]=4 2739 B18R0.19788 CCCCOCCOCCOCC(=O)OCCCC 7a_100011215186_100000211628 [1,1,0,0,0,0|2,0,0]=4 2740 B18R0.19788 CCCNNC(=O)CCCCCCCCCCCO 22a_100000740057_100000037981 [1,1,0,0,0,0|2,0,0]=4 2741 B18R0.19788 COCCNC(=O)CCCCCCCCCCCO 240690a_100000209980_100000037981 [1,1,0,0,0,0|2,0,0]=4 2742 B18R0.19788 COCCOC(=O)CNCCCCCCCCCO 2230a_100000078944_200000040189 [1,1,0,0,0,0|2,0,0]=4 2743 B18R0.19788 COCCOC(=O)CNCCCCCCCCCO 34a_100000078944_200000040189 [1,1,0,0,0,0|2,0,0]=4 2744 B18R0.19788 COCCOC(=O)COCCCCCCCCCBr 34a_100009813782_200000040189 [1,1,0,0,0,0|2,0,0]=4 2745 B18R0.19788 COCCOC(=O)COCCCCCCCCCBr 7a_100009813782_200000040189 [1,1,0,0,0,0|2,0,0]=4 2746 B18R0.19788 COCCOC(=O)COCCCCCCCCCCl 34a_100009868337_200000040189 [1,1,0,0,0,0|2,0,0]=4 2747 B18R0.19788 COCCOC(=O)COCCCCCCCCCCl 7a_100009868337_200000040189 [1,1,0,0,0,0|2,0,0]=4 2748 B18R0.19788 COCCOC(=O)COCCCCCCCCCN 34a_100000078944_200000040189 [1,1,0,0,0,0|2,0,0]=4 2749 B18R0.19788 COCCOC(=O)CSCCCCCCCCCO 62a_100009813782_200000040189 [1,1,0,0,0,0|2,0,0]=4 2750 B18R0.19788 COCCOC(=O)CSCCCCCCCCCO 62a_200000040189_100009813782 [1,1,0,0,0,0|2,0,0]=4 2751 B18R0.19788 CSCCNC(=O)CCCCCCCCCCCO 240690a_100020590264_100000037981 [1,1,0,0,0,0|2,0,0]=4 2752 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCF 240690a_100015189416_100000037981 [1,1,0,0,0,0|2,0,0]=4 2753 B18R0.19788 O=C(CCCCCCCCCCCO)NCCCO 240690a_100000182051_100000037981 [1,1,0,0,0,0|2,0,0]=4 2754 B18R0.19897 CCCCCCC(C)CCOCC(=O)CCCCC 34a_200011024964_200012276598 [1,1,0,0,0,0|2,0,0]=4 2755 B18R0.19897 CCCCCCC(C)CCOCC(=O)CCCCC 7a_200011024964_200012276598 [1,1,0,0,0,0|2,0,0]=4 2756 B18R0.19897 CCCCCCC(C)CCOCC(=O)NCCCC 34a_200011024964_100000182744 [1,1,0,0,0,0|2,0,0]=4 2757 B18R0.19897 CCCCCCC(C)CCOCC(=O)NCCCC 7a_200011024964_100000182744 [1,1,0,0,0,0|2,0,0]=4 2758 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 34a_200011024964_100000211628 [1,1,0,0,0,0|1,0,0]=3 2759 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCCC 7a_200011024964_100000211628 [1,1,0,0,0,0|1,0,0]=3 2760 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCOC 34a_200011024964_200000040189 [1,1,0,0,0,0|2,0,0]=4 2761 B18R0.19897 CCCCCCC(C)CCOCC(=O)OCCOC 7a_200011024964_200000040189 [1,1,0,0,0,0|2,0,0]=4 2762 B18R0.20936 CCCCCCCCC(C)OCC(=O)CCCCC 34a_100000210740_200012276598 [1,1,0,0,0,0|2,0,0]=4 2763 B18R0.20936 CCCCCCCCC(C)OCC(=O)CCCCC 7a_100000210740_200012276598 [1,1,0,0,0,0|2,0,0]=4 2764 B18R0.20936 CCCCCCCCC(C)OCC(=O)NCCCC 34a_100000210740_100000182744 [1,1,0,0,0,0|2,0,0]=4 2765 B18R0.20936 CCCCCCCCC(C)OCC(=O)NCCCC 7a_100000210740_100000182744 [1,1,0,0,0,0|2,0,0]=4 2766 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 34a_100000210740_100000211628 [1,1,0,0,0,0|1,0,0]=3 2767 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCCC 7a_100000210740_100000211628 [1,1,0,0,0,0|1,0,0]=3 2768 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCOC 34a_100000210740_200000040189 [1,1,0,0,0,0|2,0,0]=4 2769 B18R0.20936 CCCCCCCCC(C)OCC(=O)OCCOC 7a_100000210740_200000040189 [1,1,0,0,0,0|2,0,0]=4 2770 B18R0.97 CCCCCCCCC(=O)CNC(=O)CCC(C)C 1458a_100000205584_100000210759 [0,1,0,0,1,0|1,0,1]=4 2771 B18R0.97 CCCCCCCCC(C)OCC(=O)NCC(C)C 34a_100000210740_100000183291 [0,1,0,0,1,0|2,0,0]=4 2772 B18R0.97 CCCCCCCCC(C)OCC(=O)NCC(C)C 7a_100000210740_100000183291 [0,1,0,0,1,0|2,0,0]=4 2773 B18R0.135 CCCCCCC(C)CCOCC(=O)NCC(C)C 34a_200011024964_100000183291 [0,1,0,0,1,0|2,0,0]=4 2774 B18R0.135 CCCCCCC(C)CCOCC(=O)NCC(C)C 7a_200011024964_100000183291 [0,1,0,0,1,0|2,0,0]=4 2775 B18R0.135 CCCCCCC(C)NCCCC(=O)NCC(C)C 2230a_100000210919_100011194448 [0,1,0,0,1,0|2,0,0]=4 2776 B18R0.135 CCCCCCC(C)NCCCC(=O)NCC(C)C 34a_100000210919_100011194448 [0,1,0,0,1,0|2,0,0]=4 2777 B18R0.135 CCCCCCC(C)OCCCC(=O)NCC(C)C 34a_100000210265_100011194448 [0,1,0,0,1,0|2,0,0]=4 2778 B18R0.135 CCCCCCC(C)OCCCC(=O)NCC(C)C 7a_100000210265_100011194448 [0,1,0,0,1,0|2,0,0]=4 2779 B18R0.135 CCCCCCC(C)SCCCC(=O)NCC(C)C 62a_100011194448_100011215978 [0,1,0,0,1,0|2,0,0]=4 2780 B18R0.135 CCCCCCC(C)SCCCC(=O)NCC(C)C 62a_100011215978_100011194448 [0,1,0,0,1,0|2,0,0]=4 2781 B18R0.186 CC(C)C(C)NC(=O)CCCCCCCCCCO 240690a_100000211541_200000016029 [0,1,0,0,1,0|2,0,0]=4 2782 B18R0.186 CC(C)N(C)CC(=O)CCCCCCCCCCO 1458a_100000743827_100009813290 [0,1,0,0,1,0|2,0,0]=4 2783 B18R0.186 CC(CC(=O)CCCCCCCCCCO)N(C)C 1458a_100011311895_100009813290 [0,1,0,0,1,0|2,0,0]=4 2784 B18R0.186 CCCCCCCCCCCC(=O)CC(=O)C(C)C 1458a_100000210736_100000753385 [0,1,0,0,1,0|0,0,1]=3 2785 B18R0.186 CCCCCCCCCCCC(=O)CC(=O)N(C)C 1458a_100000210736_100000185267 [0,1,0,0,1,0|1,0,1]=4 2786 B18R0.186 CCCCCCCCCCCC(=O)CC(C)N(C)C 1458a_100011311895_100011215454 [0,1,0,0,1,0|1,0,0]=3 2787 B18R0.186 CCCCCCCCCCCC(=O)CN(C)C(C)C 1458a_100000743827_100011215454 [0,1,0,0,1,0|1,0,0]=3 2788 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(C)C 11a_100000211541_100000210736 [0,1,0,0,1,0|1,0,0]=3 2789 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000210736 [0,1,0,0,1,0|1,0,0]=3 2790 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000210736 [0,1,0,0,1,0|1,0,0]=3 2791 B18R0.186 CCCCCCCCCCNC(=O)CC(C)N(C)C 1626a_100000684558_100011311895 [0,1,0,0,1,0|2,0,0]=4 2792 B18R0.186 CCCCCCCCCCNC(=O)CC(C)N(C)C 240690a_100000684558_100011311895 [0,1,0,0,1,0|2,0,0]=4 2793 B18R0.186 CCCCCCCCCCNC(=O)CN(C)C(C)C 11a_100000684558_100000743827 [0,1,0,0,1,0|2,0,0]=4 2794 B18R0.186 CCCCCCCCCCNC(=O)CN(C)C(C)C 1626a_100000684558_100000743827 [0,1,0,0,1,0|2,0,0]=4 2795 B18R0.186 CCCCCCCCCCNC(=O)CN(C)C(C)C 240690a_100000684558_100000743827 [0,1,0,0,1,0|2,0,0]=4 2796 B18R0.186 CCCCCCCCCCNC(=O)CN(C)C(C)C 527a_100000684558_100000743827 [0,1,0,0,1,0|2,0,0]=4 2797 B18R0.186 CCCCCCCCCCNC(=O)NC(C)C(C)C 2708a_100000211541_100000684558 [0,1,0,0,1,0|2,0,0]=4 2798 B18R0.186 CCCCCCCCCCNC(=O)NC(C)C(C)C 2708a_100000684558_100000211541 [0,1,0,0,1,0|2,0,0]=4 2799 B18R0.186 CCCCCCCCCCNC(=O)NC(C)C(C)C 273464a_100000211541_100000684558 [0,1,0,0,1,0|2,0,0]=4 2800 B18R0.186 CCCCCCCCCCNC(=O)NC(C)C(C)C 273464a_100000684558_100000211541 [0,1,0,0,1,0|2,0,0]=4 2801 B18R0.186 CCCCCCCCCCNC(=O)NC(C)C(C)C 512a_100000211541_100000684558 [0,1,0,0,1,0|2,0,0]=4 2802 B18R0.186 CCCCCCCCCCNC(=O)NC(C)C(C)C 512a_100000684558_100000211541 [0,1,0,0,1,0|2,0,0]=4 2803 B18R0.186 CCCCCCCCCCOC(=O)CC(=O)C(C)C 1458a_100000210198_100000210668 [0,1,0,0,1,0|1,0,1]=4 2804 B18R0.186 CCCCCCCCCCOC(=O)CN(C)C(C)C 269982a_200000211004_100000210668 [0,1,0,0,1,0|2,0,0]=4 2805 B18R0.187 CCCCCCCCCCCN(CC)CCC(C)C 2230a_100000207693_100011215454 [0,1,0,0,1,0|2,0,0]=4 2806 B18R0.187 CCCCCCCCCCCN(CC)CCC(C)C 269982a_100000207693_100011215454 [0,1,0,0,1,0|2,0,0]=4 2807 B18R0.944 CC(C)CCCCCCCOCC(=O)NCC(C)C 34a_200000210741_100000183291 [0,1,0,0,1,0|2,0,0]=4 2808 B18R0.944 CC(C)CCCCCCCOCC(=O)NCC(C)C 7a_200000210741_100000183291 [0,1,0,0,1,0|2,0,0]=4 2809 B18R0.944 CC(C)CCCCCNCCCC(=O)NCC(C)C 2230a_100011290863_100011194448 [0,1,0,0,1,0|2,0,0]=4 2810 B18R0.944 CC(C)CCCCCNCCCC(=O)NCC(C)C 34a_100011290863_100011194448 [0,1,0,0,1,0|2,0,0]=4 2811 B18R0.944 CC(C)CCCCCOCCCC(=O)NCC(C)C 34a_100011995859_100011194448 [0,1,0,0,1,0|2,0,0]=4 2812 B18R0.944 CC(C)CCCCCOCCCC(=O)NCC(C)C 7a_100011995859_100011194448 [0,1,0,0,1,0|2,0,0]=4 2813 B18R0.944 CC(C)CCCCCSCCCC(=O)NCC(C)C 62a_100000210682_100011194448 [0,1,0,0,1,0|2,0,0]=4 2814 B18R0.944 CC(C)CCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210682 [0,1,0,0,1,0|2,0,0]=4 2815 B18R0.1442 CCCC(C)CCCOCCCC(=O)NCC(C)C 34a_100011713154_100011194448 [0,1,0,0,1,0|2,0,0]=4 2816 B18R0.1442 CCCC(C)CCCOCCCC(=O)NCC(C)C 7a_100011713154_100011194448 [0,1,0,0,1,0|2,0,0]=4 2817 B18R0.1442 CCOC(=O)CCCCCCCC(=O)CCC(C)C 1458a_100000181311_100009991516 [0,1,0,0,1,0|1,0,1]=4 2818 B18R0.6543 C=CCCCCCCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100009814027 [0,1,0,0,1,0|0,0,2]=4 2819 B18R0.6543 CC(C)CN(C)C(=O)CCCCCCCCCCO 240690a_100000747067_200000016029 [0,1,0,0,1,0|2,0,0]=4 2820 B18R0.6543 CC(C)C[C@H](O)C(=O)CCCCCCCCCCO 1458a_100012027011_100009813290 [0,1,0,0,1,0|1,0,0]=3 2821 B18R0.6543 CC(C)C[C@H](O)C(=O)NCCCCCCCCCO 240690a_100000078944_100012027011 [0,1,0,0,1,0|2,0,0]=4 2822 B18R0.6543 CC(CN(C)C)C(=O)CCCCCCCCCCO 1458a_200015186601_100009813290 [0,1,0,0,1,0|2,0,0]=4 2823 B18R0.6543 CCCCCCCCCC=CC(=O)C(C)CC(C)C 1458a_200015352897_100000731052 [0,1,0,0,1,0|0,0,2]=4 2824 B18R0.6543 CCCCCCCCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100011215454 [0,1,0,0,1,0|1,0,1]=4 2825 B18R0.6543 CCCCCCCCCCCC(=O)C(C)CN(C)C 1458a_200015186601_100011215454 [0,1,0,0,1,0|1,0,0]=3 2826 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)C 11a_100000747067_100000210736 [0,1,0,0,1,0|1,0,0]=3 2827 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000210736 [0,1,0,0,1,0|1,0,0]=3 2828 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000210736 [0,1,0,0,1,0|1,0,0]=3 2829 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000210736 [0,1,0,0,1,0|2,0,0]=4 2830 B18R0.6543 CCCCCCCCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100011215454 [0,1,0,0,1,0|0,0,0]=2 2831 B18R0.6543 CCCCCCCCCCCN(C)C(C)CC(C)C 2230a_100000745462_100011215454 [0,1,0,0,1,0|2,0,0]=4 2832 B18R0.6543 CCCCCCCCCCCN(C)C(C)CC(C)C 269982a_100000745462_100011215454 [0,1,0,0,1,0|2,0,0]=4 2833 B18R0.6543 CCCCCCCCCCNC(=O)C(C)CN(C)C 1626a_100000684558_200015186601 [0,1,0,0,1,0|2,0,0]=4 2834 B18R0.6543 CCCCCCCCCCNC(=O)C(C)CN(C)C 240690a_100000684558_200015186601 [0,1,0,0,1,0|2,0,0]=4 2835 B18R0.6543 CCCCCCCCCCNC(=O)N(C)CC(C)C 2708a_100000684558_100000747067 [0,1,0,0,1,0|2,0,0]=4 2836 B18R0.6543 CCCCCCCCCCNC(=O)N(C)CC(C)C 273464a_100000684558_100000747067 [0,1,0,0,1,0|2,0,0]=4 2837 B18R0.6543 CCCCCCCCCCNC(=O)[C@@H](O)CC(C)C 1626a_100000684558_100012027011 [0,1,0,0,1,0|1,0,0]=3 2838 B18R0.6543 CCCCCCCCCCNC(=O)[C@@H](O)CC(C)C 240690a_100000684558_100012027011 [0,1,0,0,1,0|1,0,0]=3 2839 B18R0.7791 CCCCCCCCCCNS(=O)(=O)CCC(C)C 270084a_100000684558_100000750698 [0,1,0,0,1,0|2,0,0]=4 2840 B18R0.7791 CCCCCCCCCCNS(=O)(=O)CCC(C)C 274078a_100000684558_100000750698 [0,1,0,0,1,0|2,0,0]=4 2841 B18R0.7797 CC(C)(C)CCC(=O)CCCCCCCCCCO 1458a_100000757465_100009813290 [0,1,0,0,1,0|1,0,0]=3 2842 B18R0.7797 CC(C)(C)CCC(=O)NCCCCCCCCCO 240690a_100000078944_100000757465 [0,1,0,0,1,0|2,0,0]=4 2843 B18R0.7797 CC(C)(C)CNC(=O)CCCCCCCCCCO 240690a_100000743828_200000016029 [0,1,0,0,1,0|2,0,0]=4 2844 B18R0.7797 CC(C)(C)COC(=O)CNCCCCCCCCO 2230a_102515433106_200010402935 [0,1,0,0,1,0|2,0,0]=4 2845 B18R0.7797 CC(C)(C)COC(=O)CNCCCCCCCCO 34a_102515433106_200010402935 [0,1,0,0,1,0|2,0,0]=4 2846 B18R0.7797 CC(C)(C)COC(=O)COCCCCCCCCBr 34a_100009813846_200010402935 [0,1,0,0,1,0|2,0,0]=4 2847 B18R0.7797 CC(C)(C)COC(=O)COCCCCCCCCBr 7a_100009813846_200010402935 [0,1,0,0,1,0|2,0,0]=4 2848 B18R0.7797 CC(C)(C)COC(=O)COCCCCCCCCCl 34a_100000033203_200010402935 [0,1,0,0,1,0|2,0,0]=4 2849 B18R0.7797 CC(C)(C)COC(=O)COCCCCCCCCCl 7a_100000033203_200010402935 [0,1,0,0,1,0|2,0,0]=4 2850 B18R0.7797 CC(C)(C)COC(=O)COCCCCCCCCN 34a_102515433106_200010402935 [0,1,0,0,1,0|2,0,0]=4 2851 B18R0.7797 CC(C)(C)COC(=O)CSCCCCCCCCO 62a_100000033203_200010402935 [0,1,0,0,1,0|2,0,0]=4 2852 B18R0.7797 CC(C)(C)COC(=O)CSCCCCCCCCO 62a_200010402935_100000033203 [0,1,0,0,1,0|2,0,0]=4 2853 B18R0.7797 CC(C)(C)OCC(=O)CCCCCCCCCCO 1458a_100000686494_100009813290 [0,1,0,0,1,0|2,0,0]=4 2854 B18R0.7797 CC(C)(F)CNC(=O)CCCCCCCCCCO 240690a_100020643315_200000016029 [0,1,0,0,1,0|2,0,0]=4 2855 B18R0.7797 CC(C)(O)CNC(=O)CCCCCCCCCCO 240690a_100000751335_200000016029 [0,1,0,0,1,0|2,0,0]=4 2856 B18R0.7797 CC(F)(F)CCC(=O)CCCCCCCCCCO 1458a_100000030992_100009813290 [0,1,0,0,1,0|2,0,0]=4 2857 B18R0.7797 CCCCCCCCCCCC(=O)C#CC(C)(C)C 1458a_100011966651_100011215454 [0,1,0,0,1,0|0,0,2]=4 2858 B18R0.7797 CCCCCCCCCCCC(=O)CCC(C)(F)F 1458a_100000030992_100011215454 [0,1,0,0,1,0|1,0,0]=3 2859 B18R0.7797 CCCCCCCCCCCC(=O)CCC(F)(F)F 1458a_100000210736_100011219754 [0,1,0,0,1,0|2,0,0]=4 2860 B18R0.7797 CCCCCCCCCCCC(=O)CCC(F)(F)F 1458a_100000755318_100011215454 [0,1,0,0,1,0|2,0,0]=4 2861 B18R0.7797 CCCCCCCCCCCC(=O)CCS(=O)(=O)C 1458a_100000210736_100000731031 [0,1,0,0,1,0|2,0,0]=4 2862 B18R0.7797 CCCCCCCCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100011215454 [0,1,0,0,1,0|2,0,0]=4 2863 B18R0.7797 CCCCCCCCCCCC(=O)CC[N+](C)(C)C 1458a_100000210736_100000085578 [0,1,0,0,1,0|1,0,0]=3 2864 B18R0.7797 CCCCCCCCCCCC(=O)COC(C)(C)C 1458a_100000686494_100011215454 [0,1,0,0,1,0|1,0,0]=3 2865 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)C 11a_100000743828_100000210736 [0,1,0,0,1,0|1,0,0]=3 2866 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000210736 [0,1,0,0,1,0|1,0,0]=3 2867 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000210736 [0,1,0,0,1,0|1,0,0]=3 2868 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)F 11a_100020643315_100000210736 [0,1,0,0,1,0|1,0,0]=3 2869 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000210736 [0,1,0,0,1,0|1,0,0]=3 2870 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000210736 [0,1,0,0,1,0|1,0,0]=3 2871 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000210736 [0,1,0,0,1,0|1,0,0]=3 2872 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000210736 [0,1,0,0,1,0|1,0,0]=3 2873 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(F)F 11a_100000731000_100000210736 [0,1,0,0,1,0|2,0,0]=4 2874 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(F)F 1626a_100000731000_100000210736 [0,1,0,0,1,0|2,0,0]=4 2875 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(F)F 240690a_100000731000_100000210736 [0,1,0,0,1,0|2,0,0]=4 2876 B18R0.7797 CCCCCCCCCCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000210736 [0,1,0,0,1,0|1,1,0]=4 2877 B18R0.7797 CCCCCCCCCCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000210736 [0,1,0,0,1,0|1,1,0]=4 2878 B18R0.7797 CCCCCCCCCCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000210736 [0,1,0,0,1,0|1,1,0]=4 2879 B18R0.7797 CCCCCCCCCCCC(=O)NNC(C)(C)C 22a_100000725372_100000210736 [0,1,0,0,1,0|2,0,0]=4 2880 B18R0.7797 CCCCCCCCCCCC(C)OCC(C)(C)O 34a_100011217895_100000764493 [0,1,0,0,1,0|1,0,1]=4 2881 B18R0.7797 CCCCCCCCCCCC(C)OCC(C)(C)O 7a_100011217895_100000764493 [0,1,0,0,1,0|1,0,1]=4 2882 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(C)C 11a_100000684558_100000757465 [0,1,0,0,1,0|1,0,0]=3 2883 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(C)C 1626a_100000684558_100000757465 [0,1,0,0,1,0|1,0,0]=3 2884 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(C)C 240690a_100000684558_100000757465 [0,1,0,0,1,0|1,0,0]=3 2885 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(C)C 527a_100000684558_100000757465 [0,1,0,0,1,0|1,0,0]=3 2886 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(F)F 11a_100000684558_100000030992 [0,1,0,0,1,0|2,0,0]=4 2887 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(F)F 1626a_100000684558_100000030992 [0,1,0,0,1,0|2,0,0]=4 2888 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(F)F 240690a_100000684558_100000030992 [0,1,0,0,1,0|2,0,0]=4 2889 B18R0.7797 CCCCCCCCCCNC(=O)CCC(C)(F)F 527a_100000684558_100000030992 [0,1,0,0,1,0|2,0,0]=4 2890 B18R0.7797 CCCCCCCCCCNC(=O)CC[Si](C)(C)C 1626a_100000684558_100011215282 [0,1,0,0,1,0|1,1,0]=4 2891 B18R0.7797 CCCCCCCCCCNC(=O)CC[Si](C)(C)C 240690a_100000684558_100011215282 [0,1,0,0,1,0|1,1,0]=4 2892 B18R0.7797 CCCCCCCCCCNC(=O)CC[Si](C)(C)C 527a_100000684558_100011215282 [0,1,0,0,1,0|1,1,0]=4 2893 B18R0.7797 CCCCCCCCCCNC(=O)COC(C)(C)C 11a_100000684558_100000686494 [0,1,0,0,1,0|2,0,0]=4 2894 B18R0.7797 CCCCCCCCCCNC(=O)COC(C)(C)C 1626a_100000684558_100000686494 [0,1,0,0,1,0|2,0,0]=4 2895 B18R0.7797 CCCCCCCCCCNC(=O)COC(C)(C)C 240690a_100000684558_100000686494 [0,1,0,0,1,0|2,0,0]=4 2896 B18R0.7797 CCCCCCCCCCNC(=O)COC(C)(C)C 527a_100000684558_100000686494 [0,1,0,0,1,0|2,0,0]=4 2897 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)C 2708a_100000684558_100000743828 [0,1,0,0,1,0|2,0,0]=4 2898 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)C 2708a_100000743828_100000684558 [0,1,0,0,1,0|2,0,0]=4 2899 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)C 273464a_100000684558_100000743828 [0,1,0,0,1,0|2,0,0]=4 2900 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)C 273464a_100000743828_100000684558 [0,1,0,0,1,0|2,0,0]=4 2901 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)C 512a_100000684558_100000743828 [0,1,0,0,1,0|2,0,0]=4 2902 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)C 512a_100000743828_100000684558 [0,1,0,0,1,0|2,0,0]=4 2903 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)F 2708a_100000684558_100020643315 [0,1,0,0,1,0|2,0,0]=4 2904 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)F 2708a_100020643315_100000684558 [0,1,0,0,1,0|2,0,0]=4 2905 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)F 273464a_100000684558_100020643315 [0,1,0,0,1,0|2,0,0]=4 2906 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)F 273464a_100020643315_100000684558 [0,1,0,0,1,0|2,0,0]=4 2907 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)F 512a_100000684558_100020643315 [0,1,0,0,1,0|2,0,0]=4 2908 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)F 512a_100020643315_100000684558 [0,1,0,0,1,0|2,0,0]=4 2909 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 2708a_100000684558_100000751335 [0,1,0,0,1,0|2,0,0]=4 2910 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 273464a_100000684558_100000751335 [0,1,0,0,1,0|2,0,0]=4 2911 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 512a_100000684558_100000751335 [0,1,0,0,1,0|2,0,0]=4 2912 B18R0.7797 CCCCCCCCCCNC(=O)NCC(C)(C)O 512a_100000751335_100000684558 [0,1,0,0,1,0|2,0,0]=4 2913 B18R0.7797 CCCCCCCCCCOC(=O)CNC(C)(C)C 2230a_100000715429_100000210668 [0,1,0,0,1,0|2,0,0]=4 2914 B18R0.7797 CCCCCCCCCCOC(=O)COC(C)(C)C 34a_100015890283_100000210668 [0,1,0,0,1,0|2,0,0]=4 2915 B18R0.7797 CCCCCCCCCCOC(=O)COC(C)(C)C 7a_100015890283_100000210668 [0,1,0,0,1,0|2,0,0]=4 2916 B18R0.7797 CCCCCCCCCCOC(=O)CSC(C)(C)C 62a_100000211941_100000680656 [0,1,0,0,1,0|2,0,0]=4 2917 B18R0.7797 CCCCCCCCCCOC(=O)CSC(C)(C)C 62a_100000680656_100000211941 [0,1,0,0,1,0|2,0,0]=4 2918 B18R0.7797 CCCCCCCCCNCC(=O)OCC(C)(C)C 2230a_100000212291_200010402935 [0,1,0,0,1,0|1,0,0]=3 2919 B18R0.7797 CCCCCCCCCNCC(=O)OCC(C)(C)C 34a_100000212291_200010402935 [0,1,0,0,1,0|1,0,0]=3 2920 B18R0.7797 CCCCCCCCCOCC(=O)OCC(C)(C)C 34a_100000210712_200010402935 [0,1,0,0,1,0|1,0,0]=3 2921 B18R0.7797 CCCCCCCCCOCC(=O)OCC(C)(C)C 7a_100000210712_200010402935 [0,1,0,0,1,0|1,0,0]=3 2922 B18R0.7797 CCCCCCCCCSCC(=O)OCC(C)(C)C 62a_200010402935_100000210670 [0,1,0,0,1,0|1,0,0]=3 2923 B18R0.7797 CCCCCCOCCOCC(=O)OCC(C)(C)C 34a_100000691444_200010402935 [0,1,0,0,1,0|2,0,0]=4 2924 B18R0.7797 CCCCCCOCCOCC(=O)OCC(C)(C)C 7a_100000691444_200010402935 [0,1,0,0,1,0|2,0,0]=4 2925 B18R0.7797 CCCCNCCCCOCC(=O)OCC(C)(C)C 34a_200011216965_200010402935 [0,1,0,0,1,0|2,0,0]=4 2926 B18R0.7797 CCCCOCCCCOCC(=O)OCC(C)(C)C 34a_200000760531_200010402935 [0,1,0,0,1,0|2,0,0]=4 2927 B18R0.7797 CCCCOCCCCOCC(=O)OCC(C)(C)C 7a_200000760531_200010402935 [0,1,0,0,1,0|2,0,0]=4 2928 B18R0.7797 C[Si](C)(C)CCC(=O)CCCCCCCCCCO 1458a_100011215282_100009813290 [0,1,0,0,1,0|1,1,0]=4 2929 B18R0.11636 CCCCCCCCCC(=O)CC(=O)NCC(C)C 1458a_100000210558_100000183291 [0,1,0,0,1,0|1,0,1]=4 2930 B18R0.11636 CCCCCCCCCC(C)CN(C)CCC(C)C 270004a_100000742789_200011218516 [0,1,0,0,1,0|2,0,0]=4 2931 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(C)C 1626a_100000210953_200012339438 [0,1,0,0,1,0|1,0,0]=3 2932 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(C)C 240690a_100000210953_200012339438 [0,1,0,0,1,0|1,0,0]=3 2933 B18R0.11636 CCCCCCCCCC(O)CC(=O)NCC(C)O 240690a_100000210904_200012339438 [0,1,0,0,1,0|2,0,0]=4 2934 B18R0.11636 CCCCCCCCCC(O)CC(=O)NNC(C)C 22a_100000741168_200012339438 [0,1,0,0,1,0|2,0,0]=4 2935 B18R0.11636 CCCCCCCCCN(C)CC(=O)NCC(C)C 2230a_100000232482_100000183291 [0,1,0,0,1,0|2,0,0]=4 2936 B18R0.11636 CCCCCCCCCN(C)CC(=O)NCC(C)C 269982a_100000232482_100000183291 [0,1,0,0,1,0|2,0,0]=4 2937 B18R0.15771 COC(=O)CCCCCCCCC(=O)CCC(C)C 1458a_100000036616_100000210312 [0,1,0,0,1,0|1,0,1]=4 2938 B18R0.15771 COC(=O)CCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100010282707 [0,1,0,0,1,0|1,0,1]=4 2939 B18R0.19343 CCCCCCCC(=O)CCCC(=O)NCC(C)C 1458a_100000211969_100011194448 [0,1,0,0,1,0|1,0,1]=4 2940 B18R0.19343 CCCCCCCN(C)CCCC(=O)NCC(C)C 2230a_100000228206_100011194448 [0,1,0,0,1,0|2,0,0]=4 2941 B18R0.19343 CCCCCCCN(C)CCCC(=O)NCC(C)C 269982a_100000228206_100011194448 [0,1,0,0,1,0|2,0,0]=4 2942 B18R0.19866 CCCCC(C)CCCCOCC(=O)NCC(C)C 34a_200011021034_100000183291 [0,1,0,0,1,0|2,0,0]=4 2943 B18R0.19866 CCCCC(C)CCCCOCC(=O)NCC(C)C 7a_200011021034_100000183291 [0,1,0,0,1,0|2,0,0]=4 2944 B20R0.117 CCCCCCCCCCCC(=O)N(C)CCCN(C)C 240690a_100000225831_100000210736 [0,1,0,0,0,1|2,0,0]=4 2945 B20R0.8490 CC(C)(C)OCCNC(=O)CCCCCCCCCCO 240690a_100000747557_200000016029 [0,1,0,0,0,1|2,0,0]=4 2946 B20R0.8490 CC(C)(C)SCCNC(=O)CCCCCCCCCCO 240690a_100000689375_200000016029 [0,1,0,0,0,1|2,0,0]=4 2947 B20R0.8490 CCCCCCCCCCCC(=O)NCCC[Si](C)(C)C 1626a_100000725946_100000210736 [0,1,0,0,0,1|1,1,0]=4 2948 B20R0.8490 CCCCCCCCCCCC(=O)NCCC[Si](C)(C)C 240690a_100000725946_100000210736 [0,1,0,0,0,1|1,1,0]=4 2949 B20R0.8490 CCCCCCCCCCCC(=O)NCCOC(C)(C)C 11a_100000747557_100000210736 [0,1,0,0,0,1|1,0,0]=3 2950 B20R0.8490 CCCCCCCCCCCC(=O)NCCOC(C)(C)C 1626a_100000747557_100000210736 [0,1,0,0,0,1|1,0,0]=3 2951 B20R0.8490 CCCCCCCCCCCC(=O)NCCOC(C)(C)C 240690a_100000747557_100000210736 [0,1,0,0,0,1|1,0,0]=3 2952 B20R0.8490 CCCCCCCCCCCC(=O)NCCOC(C)(C)C 34a_100007860320_100000210625 [0,1,0,0,0,1|1,0,0]=3 2953 B20R0.8490 CCCCCCCCCCCC(=O)NCCSC(C)(C)C 11a_100000689375_100000210736 [0,1,0,0,0,1|1,0,0]=3 2954 B20R0.8490 CCCCCCCCCCCC(=O)NCCSC(C)(C)C 1626a_100000689375_100000210736 [0,1,0,0,0,1|1,0,0]=3 2955 B20R0.8490 CCCCCCCCCCCC(=O)NCCSC(C)(C)C 240690a_100000689375_100000210736 [0,1,0,0,0,1|1,0,0]=3 2956 B20R0.8490 CCCCCCCCCCCC(=O)NN=CCC(C)(C)C 4a_200011219152_100000750564 [0,1,0,0,0,1|1,0,1]=4 2957 B20R0.8490 CCCCCCCCCCCC(=O)OCCNC(C)(C)C 2230a_100000715429_100000091854 [0,1,0,0,0,1|0,0,0]=2 2958 B20R0.8490 CCCCCCCCCCCC(=O)OCCOC(C)(C)C 34a_100015890283_100000091854 [0,1,0,0,0,1|0,0,0]=2 2959 B20R0.8490 CCCCCCCCCCCC(=O)OCCOC(C)(C)C 7a_100015890283_100000091854 [0,1,0,0,0,1|0,0,0]=2 2960 B20R0.8490 CCCCCCCCCCCC(=O)OCCSC(C)(C)C 62a_100000211941_100000091854 [0,1,0,0,0,1|0,0,0]=2 2961 B20R0.8490 CCCCCCCCCCCC(=O)OCCSC(F)(F)F 62a_200000243211_100000091854 [0,1,0,0,0,1|2,0,0]=4 2962 B20R0.8490 CCCCCCCCCCCC(=O)OCNCC(C)(C)C 2230a_100000743828_100020644155 [0,1,0,0,0,1|0,0,0]=2 2963 B20R0.8490 CCCCCCCCCCCC(=O)OCNCC(C)(C)F 2230a_100020643315_100020644155 [0,1,0,0,0,1|0,0,0]=2 2964 B20R0.8490 CCCCCCCCCCCC(=O)OCNCC(C)(C)O 2230a_100000751335_100020644155 [0,1,0,0,0,1|0,0,0]=2 2965 B20R0.8490 CCCCCCCCCCCC(=O)OCNCC(F)(F)F 34a_100000717047_100020644155 [0,1,0,0,0,1|2,0,0]=4 2966 B20R0.8490 CCCCCCCCCCCC(=O)OCOCC(C)(C)F 34a_100000716592_100020644155 [0,1,0,0,0,1|0,0,0]=2 2967 B20R0.8490 CCCCCCCCCCCC(=O)OCOCC(C)(F)F 34a_100000068830_100020644155 [0,1,0,0,0,1|1,0,0]=3 2968 B20R0.8490 CCCCCCCCCCCC(=O)OCOCC(F)(F)Br 34a_100011217949_100020644155 [0,1,0,0,0,1|2,0,0]=4 2969 B20R0.8490 CCCCCCCCCCCC(=O)OCOCC(F)(F)Cl 34a_100000734434_100020644155 [0,1,0,0,0,1|2,0,0]=4 2970 B20R0.8490 CCCCCCCCCCCC(=O)OCOCC(F)(F)F 34a_100000210435_100020644155 [0,1,0,0,0,1|2,0,0]=4 2971 B20R0.8490 CCCCCCCCCCCC(=O)OCSCC(C)(C)F 62a_100011997219_100020644155 [0,1,0,0,0,1|0,0,0]=2 2972 B20R0.8490 CCCCCCCCCCCC(=O)OCSCC(C)(C)O 62a_100000764493_100020644155 [0,1,0,0,0,1|0,0,0]=2 2973 B20R0.8490 CCCCCCCCCCCC(=O)OCSCC(F)(F)F 62a_100000763148_100020644155 [0,1,0,0,0,1|2,0,0]=4 2974 B20R0.8490 CCCCCCCCCCCC(=O)OCSC[N+](C)(C)C 62a_200000036245_100020644155 [0,1,0,0,0,1|1,0,0]=3 2975 B20R0.8490 CCCCCCCCCCNC(=O)NCCOC(C)(C)C 2708a_100000684558_100000747557 [0,1,0,0,0,1|2,0,0]=4 2976 B20R0.8490 CCCCCCCCCCNC(=O)NCCOC(C)(C)C 2708a_100000747557_100000684558 [0,1,0,0,0,1|2,0,0]=4 2977 B20R0.8490 CCCCCCCCCCNC(=O)NCCOC(C)(C)C 273464a_100000684558_100000747557 [0,1,0,0,0,1|2,0,0]=4 2978 B20R0.8490 CCCCCCCCCCNC(=O)NCCOC(C)(C)C 273464a_100000747557_100000684558 [0,1,0,0,0,1|2,0,0]=4 2979 B20R0.8490 CCCCCCCCCCNC(=O)NCCOC(C)(C)C 512a_100000684558_100000747557 [0,1,0,0,0,1|2,0,0]=4 2980 B20R0.8490 CCCCCCCCCCNC(=O)NCCOC(C)(C)C 512a_100000747557_100000684558 [0,1,0,0,0,1|2,0,0]=4 2981 B20R0.8490 CCCCCCCCCCNC(=O)NCCSC(C)(C)C 2708a_100000684558_100000689375 [0,1,0,0,0,1|2,0,0]=4 2982 B20R0.8490 CCCCCCCCCCNC(=O)NCCSC(C)(C)C 2708a_100000689375_100000684558 [0,1,0,0,0,1|2,0,0]=4 2983 B20R0.8490 CCCCCCCCCCNC(=O)NCCSC(C)(C)C 273464a_100000684558_100000689375 [0,1,0,0,0,1|2,0,0]=4 2984 B20R0.8490 CCCCCCCCCCNC(=O)NCCSC(C)(C)C 273464a_100000689375_100000684558 [0,1,0,0,0,1|2,0,0]=4 2985 B20R0.8490 CCCCCCCCCCNC(=O)NCCSC(C)(C)C 512a_100000684558_100000689375 [0,1,0,0,0,1|2,0,0]=4 2986 B20R0.8490 CCCCCCCCCCNC(=O)NCCSC(C)(C)C 512a_100000689375_100000684558 [0,1,0,0,0,1|2,0,0]=4 2987 B20R0.8490 CCCCCCCCCCOC(=O)CNCCC(C)(C)C 2230a_100000738805_100000210668 [0,1,0,0,0,1|2,0,0]=4 2988 B20R0.8490 CCCCCCCCCCOC(=O)CNCCC(C)(C)F 2230a_100016253952_100000210668 [0,1,0,0,0,1|2,0,0]=4 2989 B20R0.8490 CCCCCCCCCCOC(=O)COCCC(C)(C)C 7a_100000765024_100000210668 [0,1,0,0,0,1|1,0,0]=3 2990 B20R0.8490 CCCCCCCCCCOC(=O)COCC[N+](C)(C)C 7a_200020618287_100000210668 [0,1,0,0,0,1|2,0,0]=4 2991 B20R0.8490 CCCCCCCCCCOC(=O)COCC[Si](C)(C)C 7a_100000039746_100000210668 [0,1,0,0,0,1|1,1,0]=4 2992 B20R0.8490 CCCCCCCCCCOC(=O)CSCCC(C)(C)C 62a_100000680656_100000755188 [0,1,0,0,0,1|1,1,0]=4 2993 B20R0.8490 CCCCCCCCCCOC(=O)CSCCC(C)(C)C 62a_100000755188_100000680656 [0,1,0,0,0,1|1,1,0]=4 2994 B20R0.8490 CCCCCCCCCCOC(=O)CSCCC(C)(C)O 62a_100000680656_100000702414 [0,1,0,0,0,1|1,1,0]=4 2995 B20R0.8490 CCCCCCCCCCOC(=O)CSCCC(C)(C)O 62a_100000702414_100000680656 [0,1,0,0,0,1|1,1,0]=4 2996 B20R0.10416 C=C(C)CN(C)COC(=O)CCCCCCCCCCC 2230a_100000225649_100020644155 [0,1,0,0,0,1|0,0,2]=4 2997 B20R0.10416 C=C(C)CN(C)COC(=O)CCCCCCCCCCC 269982a_100000225649_100020644155 [0,1,0,0,0,1|0,0,2]=4 2998 B20R0.10416 CCCCCCCCCCCC(=O)CCC(=O)NC(C)C 1458a_100000210736_100000737564 [0,1,0,0,0,1|1,0,1]=4 2999 B20R0.10416 CCCCCCCCCCCC(=O)CCC(=O)OC(C)C 1458a_100000210736_100000760027 [0,1,0,0,0,1|1,0,1]=4 3000 B20R0.10416 CCCCCCCCCCCC(=O)CNC(=O)CC(C)C 1458a_100000194594_100011215454 [0,1,0,0,0,1|1,0,1]=4 3001 B20R0.10416 CCCCCCCCCCCC(=O)COC(=O)OC(C)C 1458a_100000210736_100000003507 [0,1,0,0,0,1|1,0,1]=4 3002 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)CC(C)C 1458a_100001278556_100000210624 [0,1,0,0,0,1|1,0,0]=3 3003 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)CC(C)O 1458a_100001278556_100011218427 [0,1,0,0,0,1|2,0,0]=4 3004 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)NC(C)C 11a_100000168517_100000210736 [0,1,0,0,0,1|1,0,1]=4 3005 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)NC(C)C 11a_100138425928_100001278556 [0,1,0,0,0,1|1,0,1]=4 3006 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)NC(C)C 1626a_100000168517_100000210736 [0,1,0,0,0,1|1,0,1]=4 3007 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)NC(C)C 1626a_100138425928_100001278556 [0,1,0,0,0,1|1,0,1]=4 3008 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)NC(C)C 240690a_100000168517_100000210736 [0,1,0,0,0,1|1,0,1]=4 3009 B20R0.10416 CCCCCCCCCCCC(=O)NCC(=O)NC(C)C 240690a_100138425928_100001278556 [0,1,0,0,0,1|1,0,1]=4 3010 B20R0.10416 CCCCCCCCCCCC(=O)NCC(O)CN(C)C 240690a_100000737402_100000210736 [0,1,0,0,0,1|2,0,0]=4 3011 B20R0.10416 CCCCCCCCCCCC(=O)NNC(=O)CC(C)C 22a_100000189787_100000210736 [0,1,0,0,0,1|1,0,1]=4 3012 B20R0.10416 CCCCCCCCCCCC(=O)OCC(=O)C=C(C)C 1458a_100000211388_100020644155 [0,1,0,0,0,1|0,0,2]=4 3013 B20R0.10416 CCCCCCCCCCCC(=O)OCC(=O)CC(C)C 1458a_100000210554_100020644155 [0,1,0,0,0,1|0,0,0]=2 3014 B20R0.10416 CCCCCCCCCCCC(=O)OCC(=O)CN(C)C 1458a_100000750896_100020644155 [0,1,0,0,0,1|1,0,0]=3 3015 B20R0.10416 CCCCCCCCCCCC(=O)OCC(=O)C[C@@H](C)O 1458a_100011933948_100020644155 [0,1,0,0,0,1|1,0,0]=3 3016 B20R0.10416 CCCCCCCCCCCC(=O)OCC(=O)C[S+](C)C 1458a_200159257847_100020644155 [0,1,0,0,0,1|1,0,0]=3 3017 B20R0.10416 CCCCCCCCCCCC(=O)OCN(C)CC(C)C 2230a_100000747067_100020644155 [0,1,0,0,0,1|0,0,0]=2 3018 B20R0.10416 CCCCCCCCCCCC(=O)OCN(C)CC(C)C 269982a_100000747067_100020644155 [0,1,0,0,0,1|0,0,0]=2 3019 B20R0.10416 CCCCCCCCCCCC(=O)OCN(C)CC(C)O 2230a_100000227577_100020644155 [0,1,0,0,0,1|1,0,0]=3 3020 B20R0.10416 CCCCCCCCCCCC(=O)OCN(C)CC(C)O 269982a_100000227577_100020644155 [0,1,0,0,0,1|1,0,0]=3 3021 B20R0.10416 CCCCCCCCCCOC(=O)CNC(C)CC(C)C 2230a_100000692259_100000210668 [0,1,0,0,0,1|2,0,0]=4 3022 B20R0.10416 CCCCCCCCCCOC(=O)COC(C)CC(C)C 34a_100000211805_100000210668 [0,1,0,0,0,1|1,0,0]=3 3023 B20R0.10416 CCCCCCCCCCOC(=O)COC(C)CC(C)C 7a_100000211805_100000210668 [0,1,0,0,0,1|1,0,0]=3 3024 B20R0.10416 CCCCCCCCCCOC(=O)CSC(C)CC(C)C 62a_100000680656_100000731052 [0,1,0,0,0,1|1,1,0]=4 3025 B20R0.10416 CCCCCCCCCCOC(=O)CSC(C)CC(C)C 62a_100000731052_100000680656 [0,1,0,0,0,1|1,1,0]=4 3026 B20R0.10421 C#CC(C)NCCOC(=O)CCCCCCCCCCC 2230a_100000707721_100000091854 [0,1,0,0,0,1|0,0,1]=3 3027 B20R0.10421 C#CC(C)NCCOC(=O)CCCCCCCCCCC 34a_100000707721_100000091854 [0,1,0,0,0,1|0,0,1]=3 3028 B20R0.10421 C#CC(C)OCCNC(=O)CCCCCCCCCCC 34a_100007860320_200000035995 [0,1,0,0,0,1|1,0,1]=4 3029 B20R0.10421 C#CC(C)SCCOC(=O)CCCCCCCCCCC 62a_200000035995_100000091854 [0,1,0,0,0,1|0,0,1]=3 3030 B20R0.10421 C#C[C@@H](C)OCCOC(=O)CCCCCCCCCCC 34a_100009815206_100000091854 [0,1,0,0,0,1|0,0,1]=3 3031 B20R0.10421 C#C[C@@H](C)OCCOC(=O)CCCCCCCCCCC 7a_100009815206_100000091854 [0,1,0,0,0,1|0,0,1]=3 3032 B20R0.10421 CCCCCCCCCCCC(=O)NCCOC(C)C#N 7a_100007860320_100000703298 [0,1,0,0,0,1|1,0,1]=4 3033 B20R0.10421 CCCCCCCCCCCC(=O)NN=CCC(C)SC 4a_200011219152_100000036020 [0,1,0,0,0,1|1,0,1]=4 3034 B20R0.10421 CCCCCCCCCCCC(=O)OCCNC(C)C#N 2230a_100000737613_100000091854 [0,1,0,0,0,1|0,0,1]=3 3035 B20R0.10421 CCCCCCCCCCCC(=O)OCCOC(C)C#N 34a_100011218135_100000091854 [0,1,0,0,0,1|0,0,1]=3 3036 B20R0.10421 CCCCCCCCCCCC(=O)OCCSC(C)C#N 62a_100000703298_100000091854 [0,1,0,0,0,1|0,0,1]=3 3037 B20R0.10421 CCCCCCCCCCCC(=O)OCCSC(F)C#N 62a_200000117898_100000091854 [0,1,0,0,0,1|1,0,1]=4 3038 B20R0.10421 CCCCCCCCCCCC(=O)OCNCC(=O)NC 2230a_100000693194_100020644155 [0,1,0,0,0,1|1,0,1]=4 3039 B20R0.10421 CCCCCCCCCCCC(=O)OCOCC(=O)NC 34a_100000750040_100020644155 [0,1,0,0,0,1|1,0,1]=4 3040 B20R0.10421 CCCCCCCCCCCC(=O)OCSCC(=O)NC 62a_100000183359_100020644155 [0,1,0,0,0,1|1,0,1]=4 3041 B20R0.10421 CCCCCCCCCCCC(=O)OCSCC(=O)OC 62a_100000747449_100020644155 [0,1,0,0,0,1|1,0,1]=4 3042 B20R0.10426 C=C(C)C(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000185857_100000091854 [0,1,0,0,0,1|0,0,2]=4 3043 B20R0.10426 CC(C)N(C)CCNC(=O)CCCCCCCCCCO 240690a_100000749581_200000016029 [0,1,0,0,0,1|2,0,0]=4 3044 B20R0.10426 CCCCCCCCCCCC(=O)CCCC(=O)N(C)C 1458a_100000210736_100000737642 [0,1,0,0,0,1|2,0,0]=4 3045 B20R0.10426 CCCCCCCCCCCC(=O)NCCC(=O)N(C)C 11a_100000738053_100000210736 [0,1,0,0,0,1|2,0,0]=4 3046 B20R0.10426 CCCCCCCCCCCC(=O)NCCC(=O)N(C)C 240690a_100000738053_100000210736 [0,1,0,0,0,1|2,0,0]=4 3047 B20R0.10426 CCCCCCCCCCCC(=O)NCCN(C)C(C)C 1626a_100000749581_100000210736 [0,1,0,0,0,1|1,0,0]=3 3048 B20R0.10426 CCCCCCCCCCCC(=O)NCCN(C)C(C)C 240690a_100000749581_100000210736 [0,1,0,0,0,1|1,0,0]=3 3049 B20R0.10426 CCCCCCCCCCCC(=O)OCCC(=O)C(C)C 1458a_100000210198_100000091854 [0,1,0,0,0,1|0,0,0]=2 3050 B20R0.10426 CCCCCCCCCCCC(=O)OCCC(=O)C(C)F 1458a_100000062450_100000091854 [0,1,0,0,0,1|1,0,0]=3 3051 B20R0.10426 CCCCCCCCCCCC(=O)OCCC(=O)C(O)O 1458a_100000233687_100000091854 [0,1,0,0,0,1|2,0,0]=4 3052 B20R0.10426 CCCCCCCCCCCC(=O)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000091854 [0,1,0,0,0,1|1,0,0]=3 3053 B20R0.10426 CCCCCCCCCCCC(=O)OCCC(=O)[C@H](C)O 1458a_217856618621_100000091854 [0,1,0,0,0,1|1,0,0]=3 3054 B20R0.10426 CCCCCCCCCCCC(=O)OCCN(C)C(C)C 269982a_200000211004_100000091854 [0,1,0,0,0,1|0,0,0]=2 3055 B20R0.10426 CCCCCCCCCCCC(=O)OCNC(C)C(C)C 2230a_100000211541_100020644155 [0,1,0,0,0,1|0,0,0]=2 3056 B20R0.10426 CCCCCCCCCCCC(=O)OCOC(C)C(=O)C 34a_100000212229_100020644155 [0,1,0,0,0,1|1,0,1]=4 3057 B20R0.10426 CCCCCCCCCCCC(=O)OCOC(C)C(C)C 7a_100000748068_100020644155 [0,1,0,0,0,1|0,0,0]=2 3058 B20R0.10426 CCCCCCCCCCCC(=O)OCSC(C)C(=O)C 62a_100009814033_100020644155 [0,1,0,0,0,1|1,0,1]=4 3059 B20R0.10426 CCCCCCCCCCNC(=O)NCCN(C)C(C)C 2708a_100000684558_100000749581 [0,1,0,0,0,1|2,0,0]=4 3060 B20R0.10426 CCCCCCCCCCNC(=O)NCCN(C)C(C)C 273464a_100000684558_100000749581 [0,1,0,0,0,1|2,0,0]=4 3061 B20R0.10426 CCCCCCCCCCNC(=O)NCCN(C)C(C)C 273464a_100000749581_100000684558 [0,1,0,0,0,1|2,0,0]=4 3062 B20R0.10426 CCCCCCCCCCNC(=O)NCCN(C)C(C)C 512a_100000684558_100000749581 [0,1,0,0,0,1|2,0,0]=4 3063 B20R0.10426 CCCCCCCCCCNC(=O)NCCN(C)C(C)C 512a_100000749581_100000684558 [0,1,0,0,0,1|2,0,0]=4 3064 B20R0.10426 CCCCCCCCCCOC(=O)CNCC(O)C(C)C 2230a_100000759067_100000210668 [0,1,0,0,0,1|2,0,0]=4 3065 B20R0.10426 CCCCCCCCCCOC(=O)CNCC(O)C(C)C 34a_100000759067_100000210668 [0,1,0,0,0,1|2,0,0]=4 3066 B20R0.10426 CCCCCCCCCCOC(=O)COC[C@H](N)C(C)C 34a_100011830312_100000210668 [0,1,0,0,0,1|1,0,0]=3 3067 B20R0.10430 CC(C)CCC(C)NC(=O)CCCCCCCCCCO 240690a_100138410893_200000016029 [0,1,0,0,0,1|2,0,0]=4 3068 B20R0.10430 CCCCCCCCCCCC(=O)CC(=O)NCC(C)C 1458a_100000210736_100000183291 [0,1,0,0,0,1|1,0,1]=4 3069 B20R0.10430 CCCCCCCCCCCC(=O)NC(C)CCC(C)C 11a_100138410893_100000210736 [0,1,0,0,0,1|1,0,0]=3 3070 B20R0.10430 CCCCCCCCCCCC(=O)NC(C)CCC(C)C 1626a_100138410893_100000210736 [0,1,0,0,0,1|1,0,0]=3 3071 B20R0.10430 CCCCCCCCCCCC(=O)NC(C)CCC(C)C 240690a_100138410893_100000210736 [0,1,0,0,0,1|1,0,0]=3 3072 B20R0.10430 CCCCCCCCCCNC(=O)NC(C)CCC(C)C 2708a_100000684558_100138410893 [0,1,0,0,0,1|2,0,0]=4 3073 B20R0.10430 CCCCCCCCCCNC(=O)NC(C)CCC(C)C 2708a_100138410893_100000684558 [0,1,0,0,0,1|2,0,0]=4 3074 B20R0.10430 CCCCCCCCCCNC(=O)NC(C)CCC(C)C 273464a_100138410893_100000684558 [0,1,0,0,0,1|2,0,0]=4 3075 B20R0.10430 CCCCCCCCCCNC(=O)NC(C)CCC(C)C 512a_100000684558_100138410893 [0,1,0,0,0,1|2,0,0]=4 3076 B20R0.10430 CCCCCCCCCCNC(=O)NC(C)CCC(C)C 512a_100138410893_100000684558 [0,1,0,0,0,1|2,0,0]=4 3077 B20R0.10430 CCCCCCCCCCOC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000210668 [0,1,0,0,0,1|2,0,0]=4 3078 B20R0.10430 CCCCCCCCCCOC(=O)CN(C)CCC(C)C 2230a_100000742789_100000210668 [0,1,0,0,0,1|2,0,0]=4 3079 B20R0.10430 CCCCCCCCCCOC(=O)CN(C)CCC(C)C 269982a_100000742789_100000210668 [0,1,0,0,0,1|2,0,0]=4 3080 B20R0.10430 CCCCCCCCCNCC(=O)NC(C)CCC(C)C 2230a_100000212291_100000229880 [0,1,0,0,0,1|2,0,0]=4 3081 B20R0.10430 CCCCCCCCCNCC(=O)NC(C)CCC(C)C 34a_100000212291_100000229880 [0,1,0,0,0,1|2,0,0]=4 3082 B20R0.10430 CCCCCCCCCOCC(=O)NC(C)CCC(C)C 34a_100000210712_100000229880 [0,1,0,0,0,1|2,0,0]=4 3083 B20R0.10430 CCCCCCCCCOCC(=O)NC(C)CCC(C)C 7a_100000210712_100000229880 [0,1,0,0,0,1|2,0,0]=4 3084 B20R0.10430 CCCCCCCCCSCC(=O)NC(C)CCC(C)C 62a_100000229880_100000210670 [0,1,0,0,0,1|2,0,0]=4 3085 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCCC(C)C 11a_100000207566_100011933920 [0,1,0,0,0,1|2,0,0]=4 3086 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCCC(C)C 1626a_100000207566_100011933920 [0,1,0,0,0,1|2,0,0]=4 3087 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCCC(C)C 240690a_100000207566_100011933920 [0,1,0,0,0,1|2,0,0]=4 3088 B20R0.16455 CCCCCCCCCCN(C)C(=O)CCCCC(C)C 527a_100000207566_100011933920 [0,1,0,0,0,1|2,0,0]=4 3089 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCCC(C)C 2708a_200000737386_100000207566 [0,1,0,0,0,1|2,0,0]=4 3090 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCCC(C)C 273464a_200000737386_100000207566 [0,1,0,0,0,1|2,0,0]=4 3091 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCOC(C)C 2708a_100000701111_100000207566 [0,1,0,0,0,1|2,0,0]=4 3092 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCOC(C)C 273464a_100000701111_100000207566 [0,1,0,0,0,1|2,0,0]=4 3093 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCSC(C)C 2708a_100000731138_100000207566 [0,1,0,0,0,1|2,0,0]=4 3094 B20R0.16455 CCCCCCCCCCN(C)C(=O)NCCSC(C)C 273464a_100000731138_100000207566 [0,1,0,0,0,1|2,0,0]=4 3095 B20R0.22238 CC(C)CCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_200000737386 [0,1,0,0,0,1|2,0,0]=4 3096 B20R0.22238 CC(C)CCCNC(=O)NCCCCCCCCCCO 2708a_200000737386_100000066964 [0,1,0,0,0,1|2,0,0]=4 3097 B20R0.22238 CC(C)CCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_200000737386 [0,1,0,0,0,1|2,0,0]=4 3098 B20R0.22238 CC(C)CCCNC(=O)NCCCCCCCCCCO 273464a_200000737386_100000066964 [0,1,0,0,0,1|2,0,0]=4 3099 B20R0.22238 CC(C)CCCNC(=O)NCCCCCCCCCCO 512a_100000066964_200000737386 [0,1,0,0,0,1|2,0,0]=4 3100 B20R0.22238 CC(C)CCCNC(=O)NCCCCCCCCCCO 512a_200000737386_100000066964 [0,1,0,0,0,1|2,0,0]=4 3101 B20R0.22238 CC(C)OCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000701111 [0,1,0,0,0,1|2,0,0]=4 3102 B20R0.22238 CC(C)OCCNC(=O)NCCCCCCCCCCO 2708a_100000701111_100000066964 [0,1,0,0,0,1|2,0,0]=4 3103 B20R0.22238 CC(C)OCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000701111 [0,1,0,0,0,1|2,0,0]=4 3104 B20R0.22238 CC(C)OCCNC(=O)NCCCCCCCCCCO 273464a_100000701111_100000066964 [0,1,0,0,0,1|2,0,0]=4 3105 B20R0.22238 CC(C)OCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000701111 [0,1,0,0,0,1|2,0,0]=4 3106 B20R0.22238 CC(C)OCCNC(=O)NCCCCCCCCCCO 512a_100000701111_100000066964 [0,1,0,0,0,1|2,0,0]=4 3107 B20R0.22238 CC(C)SCCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000731138 [0,1,0,0,0,1|2,0,0]=4 3108 B20R0.22238 CC(C)SCCNC(=O)NCCCCCCCCCCO 2708a_100000731138_100000066964 [0,1,0,0,0,1|2,0,0]=4 3109 B20R0.22238 CC(C)SCCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000731138 [0,1,0,0,0,1|2,0,0]=4 3110 B20R0.22238 CC(C)SCCNC(=O)NCCCCCCCCCCO 273464a_100000731138_100000066964 [0,1,0,0,0,1|2,0,0]=4 3111 B20R0.22238 CC(C)SCCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000731138 [0,1,0,0,0,1|2,0,0]=4 3112 B20R0.22238 CC(C)SCCNC(=O)NCCCCCCCCCCO 512a_100000731138_100000066964 [0,1,0,0,0,1|2,0,0]=4 3113 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCCC(C)C 11a_200000737386_100015291182 [0,1,0,0,0,1|1,0,1]=4 3114 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCCC(C)C 1626a_200000737386_100015291182 [0,1,0,0,0,1|1,0,1]=4 3115 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCCC(C)C 240690a_200000737386_100015291182 [0,1,0,0,0,1|1,0,1]=4 3116 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCOC(C)C 11a_100000701111_100015291182 [0,1,0,0,0,1|1,0,1]=4 3117 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCOC(C)C 1626a_100000701111_100015291182 [0,1,0,0,0,1|1,0,1]=4 3118 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCOC(C)C 240690a_100000701111_100015291182 [0,1,0,0,0,1|1,0,1]=4 3119 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCSC(C)C 11a_100000731138_100015291182 [0,1,0,0,0,1|1,0,1]=4 3120 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCSC(C)C 1626a_100000731138_100015291182 [0,1,0,0,0,1|1,0,1]=4 3121 B20R0.22238 CCCCCCCCCCC=CC(=O)NCCSC(C)C 240690a_100000731138_100015291182 [0,1,0,0,0,1|1,0,1]=4 3122 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(C)C 2708a_200000737386_200011215754 [0,1,0,0,0,1|1,0,0]=3 3123 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(C)C 2708a_200011215754_200000737386 [0,1,0,0,0,1|1,0,0]=3 3124 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(C)C 273464a_200000737386_200011215754 [0,1,0,0,0,1|1,0,0]=3 3125 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(C)C 273464a_200011215754_200000737386 [0,1,0,0,0,1|1,0,0]=3 3126 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(C)C 512a_200000737386_200011215754 [0,1,0,0,0,1|1,0,0]=3 3127 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCC(C)C 512a_200011215754_200000737386 [0,1,0,0,0,1|1,0,0]=3 3128 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCN(C)C 2708a_200011215754_102531767803 [0,1,0,0,0,1|2,0,0]=4 3129 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCN(C)C 273464a_102531767803_200011215754 [0,1,0,0,0,1|2,0,0]=4 3130 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCN(C)C 273464a_200011215754_102531767803 [0,1,0,0,0,1|2,0,0]=4 3131 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCN(C)C 512a_102531767803_200011215754 [0,1,0,0,0,1|2,0,0]=4 3132 B20R0.22238 CCCCCCCCCCCNC(=O)NCCCN(C)C 512a_200011215754_102531767803 [0,1,0,0,0,1|2,0,0]=4 3133 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(C)C 2708a_100000701111_200011215754 [0,1,0,0,0,1|1,0,0]=3 3134 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(C)C 2708a_200011215754_100000701111 [0,1,0,0,0,1|1,0,0]=3 3135 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(C)C 273464a_100000701111_200011215754 [0,1,0,0,0,1|1,0,0]=3 3136 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(C)C 273464a_200011215754_100000701111 [0,1,0,0,0,1|1,0,0]=3 3137 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(C)C 512a_100000701111_200011215754 [0,1,0,0,0,1|1,0,0]=3 3138 B20R0.22238 CCCCCCCCCCCNC(=O)NCCOC(C)C 512a_200011215754_100000701111 [0,1,0,0,0,1|1,0,0]=3 3139 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(C)C 2708a_100000731138_200011215754 [0,1,0,0,0,1|1,0,0]=3 3140 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(C)C 2708a_200011215754_100000731138 [0,1,0,0,0,1|1,0,0]=3 3141 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(C)C 273464a_100000731138_200011215754 [0,1,0,0,0,1|1,0,0]=3 3142 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(C)C 273464a_200011215754_100000731138 [0,1,0,0,0,1|1,0,0]=3 3143 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(C)C 512a_100000731138_200011215754 [0,1,0,0,0,1|1,0,0]=3 3144 B20R0.22238 CCCCCCCCCCCNC(=O)NCCSC(C)C 512a_200011215754_100000731138 [0,1,0,0,0,1|1,0,0]=3 3145 B20R0.22238 CCCCCCCCCCCNC(=O)NNCCN(C)C 273464a_200011215754_100000738145 [0,1,0,0,0,1|2,0,0]=4 3146 B20R0.22238 CCCCCCCCCCCNC(=O)NNCCN(C)C 512a_200011215754_100000738145 [0,1,0,0,0,1|2,0,0]=4 3147 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCCC(C)C 1626a_200000737386_200012339438 [0,1,0,0,0,1|1,0,0]=3 3148 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCCC(C)C 240690a_200000737386_200012339438 [0,1,0,0,0,1|1,0,0]=3 3149 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCCN(C)C 240690a_102531767803_200012339438 [0,1,0,0,0,1|2,0,0]=4 3150 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCOC(C)C 1626a_100000701111_200012339438 [0,1,0,0,0,1|1,0,0]=3 3151 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCOC(C)C 240690a_100000701111_200012339438 [0,1,0,0,0,1|1,0,0]=3 3152 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCSC(C)C 1626a_100000731138_200012339438 [0,1,0,0,0,1|1,0,0]=3 3153 B20R0.32054 CCCCCCCCCC(O)CC(=O)NCCSC(C)C 240690a_100000731138_200012339438 [0,1,0,0,0,1|1,0,0]=3 3154 B20R0.32054 CCCCCCCCCC(O)CC(=O)NNCCN(C)C 22a_100000738145_200012339438 [0,1,0,0,0,1|2,0,0]=4 3155 B20R0.2929 CC(C)CC(C)NC(=O)CCCCCCCCCCCO 240690a_100000692259_100000037981 [0,2,0,0,0,0|1,0,0]=3 3156 B20R0.2929 CC(C)CC(C)NC(=O)NCCCCCCCCCCO 2708a_100000066964_100000692259 [0,2,0,0,0,0|2,0,0]=4 3157 B20R0.2929 CC(C)CC(C)NC(=O)NCCCCCCCCCCO 2708a_100000692259_100000066964 [0,2,0,0,0,0|2,0,0]=4 3158 B20R0.2929 CC(C)CC(C)NC(=O)NCCCCCCCCCCO 273464a_100000692259_100000066964 [0,2,0,0,0,0|2,0,0]=4 3159 B20R0.2929 CC(C)CC(C)NC(=O)NCCCCCCCCCCO 512a_100000066964_100000692259 [0,2,0,0,0,0|2,0,0]=4 3160 B20R0.2929 CC(C)CC(C)NC(=O)NCCCCCCCCCCO 512a_100000692259_100000066964 [0,2,0,0,0,0|2,0,0]=4 3161 B20R0.2929 CC(CN(C)C)NC(=O)CCCCCCCCCCCO 240690a_100016992788_100000037981 [0,2,0,0,0,0|2,0,0]=4 3162 B20R0.2929 CCCCCCCCCCC=CC(=O)NC(C)CC(C)C 11a_100000692259_100015291182 [0,2,0,0,0,0|1,0,1]=4 3163 B20R0.2929 CCCCCCCCCCC=CC(=O)NC(C)CC(C)C 1626a_100000692259_100015291182 [0,2,0,0,0,0|1,0,1]=4 3164 B20R0.2929 CCCCCCCCCCC=CC(=O)NC(C)CC(C)C 240690a_100000692259_100015291182 [0,2,0,0,0,0|1,0,1]=4 3165 B20R0.2929 CCCCCCCCCCCCC(=O)NC(C)CC(C)C 11a_100000692259_100011215791 [0,2,0,0,0,0|1,0,0]=3 3166 B20R0.2929 CCCCCCCCCCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100011215791 [0,2,0,0,0,0|1,0,0]=3 3167 B20R0.2929 CCCCCCCCCCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100011215791 [0,2,0,0,0,0|1,0,0]=3 3168 B20R0.2929 CCCCCCCCCCCCC(=O)NC(C)CN(C)C 11a_100016992788_100011215791 [0,2,0,0,0,0|2,0,0]=4 3169 B20R0.2929 CCCCCCCCCCCCC(=O)NC(C)CN(C)C 240690a_100016992788_100011215791 [0,2,0,0,0,0|2,0,0]=4 3170 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_100000692259_200011215754 [0,2,0,0,0,0|1,0,0]=3 3171 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CC(C)C 2708a_200011215754_100000692259 [0,2,0,0,0,0|1,0,0]=3 3172 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CC(C)C 273464a_100000692259_200011215754 [0,2,0,0,0,0|1,0,0]=3 3173 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CC(C)C 512a_100000692259_200011215754 [0,2,0,0,0,0|1,0,0]=3 3174 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CC(C)C 512a_200011215754_100000692259 [0,2,0,0,0,0|1,0,0]=3 3175 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CN(C)C 2708a_200011215754_100016992788 [0,2,0,0,0,0|2,0,0]=4 3176 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CN(C)C 273464a_100016992788_200011215754 [0,2,0,0,0,0|2,0,0]=4 3177 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CN(C)C 273464a_200011215754_100016992788 [0,2,0,0,0,0|2,0,0]=4 3178 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CN(C)C 512a_100016992788_200011215754 [0,2,0,0,0,0|2,0,0]=4 3179 B20R0.2929 CCCCCCCCCCCNC(=O)NC(C)CN(C)C 512a_200011215754_100016992788 [0,2,0,0,0,0|2,0,0]=4 3180 B20R0.2930 CCCCCCCCCC(O)CC(=O)NC(C)CC(C)C 1626a_100000692259_200012339438 [0,2,0,0,0,0|1,0,0]=3 3181 B20R0.2930 CCCCCCCCCC(O)CC(=O)NC(C)CC(C)C 240690a_100000692259_200012339438 [0,2,0,0,0,0|1,0,0]=3 3182 B20R0.2930 CCCCCCCCCC(O)CC(=O)NC(C)CN(C)C 240690a_100016992788_200012339438 [0,2,0,0,0,0|2,0,0]=4 3183 B20R0.8484 CCC(C)CC(C)NC(=O)CCCCCCCCCCO 240690a_100000763565_200000016029 [0,2,0,0,0,0|2,0,0]=4 3184 B20R0.8484 CCCCCCCCCCCC(=O)NC(C)CC(C)CC 11a_100000763565_100000210736 [0,2,0,0,0,0|1,0,0]=3 3185 B20R0.8484 CCCCCCCCCCCC(=O)NC(C)CC(C)CC 1626a_100000763565_100000210736 [0,2,0,0,0,0|1,0,0]=3 3186 B20R0.8484 CCCCCCCCCCCC(=O)NC(C)CC(C)CC 240690a_100000763565_100000210736 [0,2,0,0,0,0|1,0,0]=3 3187 B20R0.8484 CCCCCCCCCCNC(=O)NC(C)CC(C)CC 2708a_100000684558_100000763565 [0,2,0,0,0,0|2,0,0]=4 3188 B20R0.8484 CCCCCCCCCCNC(=O)NC(C)CC(C)CC 2708a_100000763565_100000684558 [0,2,0,0,0,0|2,0,0]=4 3189 B20R0.8484 CCCCCCCCCCNC(=O)NC(C)CC(C)CC 273464a_100000684558_100000763565 [0,2,0,0,0,0|2,0,0]=4 3190 B20R0.8484 CCCCCCCCCCNC(=O)NC(C)CC(C)CC 273464a_100000763565_100000684558 [0,2,0,0,0,0|2,0,0]=4 3191 B20R0.8484 CCCCCCCCCCNC(=O)NC(C)CC(C)CC 512a_100000684558_100000763565 [0,2,0,0,0,0|2,0,0]=4 3192 B20R0.8484 CCCCCCCCCCNC(=O)NC(C)CC(C)CC 512a_100000763565_100000684558 [0,2,0,0,0,0|2,0,0]=4 3193 B20R0.8496 CC(CC(=O)CCCCCCCCCCO)CC(C)(C)C 1458a_100000239893_100009813290 [0,2,0,0,0,0|2,0,0]=4 3194 B20R0.8496 CCCCCCCCCCCC(=O)CC(O)C[N+](C)(C)C 1458a_100000210736_100000032816 [0,2,0,0,0,0|2,0,0]=4 3195 B20R0.8496 CCCCCCCCCCCC(=O)C[C@@H](O)C[N+](C)(C)C 1458a_100000004043_100011215454 [0,2,0,0,0,0|2,0,0]=4 3196 B20R0.8496 CCCCCCCCCCCC(=O)N[C@@H](C)CC(C)(C)C 11a_106358413534_100000210736 [0,2,0,0,0,0|1,0,0]=3 3197 B20R0.8496 CCCCCCCCCCCC(=O)N[C@@H](C)CC(C)(C)C 1626a_106358413534_100000210736 [0,2,0,0,0,0|1,0,0]=3 3198 B20R0.8496 CCCCCCCCCCCC(=O)N[C@@H](C)CC(C)(C)C 240690a_106358413534_100000210736 [0,2,0,0,0,0|1,0,0]=3 3199 B20R0.8496 CCCCCCCCCCNC(=O)CC(C)CC(C)(C)C 11a_100000684558_100000239893 [0,2,0,0,0,0|2,0,0]=4 3200 B20R0.8496 CCCCCCCCCCNC(=O)CC(C)CC(C)(C)C 1626a_100000684558_100000239893 [0,2,0,0,0,0|2,0,0]=4 3201 B20R0.8496 CCCCCCCCCCNC(=O)CC(C)CC(C)(C)C 240690a_100000684558_100000239893 [0,2,0,0,0,0|2,0,0]=4 3202 B20R0.8496 CCCCCCCCCCNC(=O)CC(C)CC(C)(C)C 527a_100000684558_100000239893 [0,2,0,0,0,0|2,0,0]=4 3203 B20R0.8496 CCCCCCCCCCNC(=O)N[C@@H](C)CC(C)(C)C 2708a_100000684558_106358413534 [0,2,0,0,0,0|2,0,0]=4 3204 B20R0.8496 CCCCCCCCCCNC(=O)N[C@@H](C)CC(C)(C)C 2708a_106358413534_100000684558 [0,2,0,0,0,0|2,0,0]=4 3205 B20R0.8496 CCCCCCCCCCNC(=O)N[C@@H](C)CC(C)(C)C 273464a_100000684558_106358413534 [0,2,0,0,0,0|2,0,0]=4 3206 B20R0.8496 CCCCCCCCCCNC(=O)N[C@@H](C)CC(C)(C)C 273464a_106358413534_100000684558 [0,2,0,0,0,0|2,0,0]=4 3207 B20R0.8496 CCCCCCCCCCNC(=O)N[C@@H](C)CC(C)(C)C 512a_100000684558_106358413534 [0,2,0,0,0,0|2,0,0]=4 3208 B20R0.8496 CCCCCCCCCCNC(=O)N[C@@H](C)CC(C)(C)C 512a_106358413534_100000684558 [0,2,0,0,0,0|2,0,0]=4 3209 B20R0.8496 C[C@@H](CC(C)(C)C)NC(=O)CCCCCCCCCCO 240690a_106358413534_200000016029 [0,2,0,0,0,0|2,0,0]=4 3210 B20R0.10198 CC(C)CC(C)N(C)C(=O)CCCCCCCCCCO 240690a_100000745462_200000016029 [0,2,0,0,0,0|2,0,0]=4 3211 B20R0.10198 CCCCCCCCCCCC(=O)N(C)C(C)CC(C)C 11a_100000745462_100000210736 [0,2,0,0,0,0|1,0,0]=3 3212 B20R0.10198 CCCCCCCCCCCC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100000210736 [0,2,0,0,0,0|1,0,0]=3 3213 B20R0.10198 CCCCCCCCCCCC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100000210736 [0,2,0,0,0,0|1,0,0]=3 3214 B20R0.10198 CCCCCCCCCCNC(=O)N(C)C(C)CC(C)C 2708a_100000684558_100000745462 [0,2,0,0,0,0|2,0,0]=4 3215 B20R0.16453 CCCCCCCCCCN(C)C(=O)NC(C)CC(C)C 2708a_100000692259_100000207566 [0,2,0,0,0,0|2,0,0]=4 3216 B20R0.16453 CCCCCCCCCCN(C)C(=O)NC(C)CC(C)C 273464a_100000692259_100000207566 [0,2,0,0,0,0|2,0,0]=4 3217 B20R0.28385 CC(C)CC(C#N)NC(=O)CCCCCCCCCCO 240690a_100000741378_200000016029 [0,2,0,0,0,0|2,0,0]=4 3218 B20R0.28385 CC(C)C[C@@H](CO)NC(=O)CCCCCCCCCCO 240690a_100011830311_200000016029 [0,2,0,0,0,0|2,0,0]=4 3219 B20R0.28385 CCCCCCCCCCCC(=O)NC(C#N)CC(C)C 11a_100000741378_100000210736 [0,2,0,0,0,0|1,0,0]=3 3220 B20R0.28385 CCCCCCCCCCCC(=O)NC(C#N)CC(C)C 1626a_100000741378_100000210736 [0,2,0,0,0,0|1,0,0]=3 3221 B20R0.28385 CCCCCCCCCCCC(=O)NC(C#N)CC(C)C 240690a_100000741378_100000210736 [0,2,0,0,0,0|1,0,0]=3 3222 B20R0.28385 CCCCCCCCCCCC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100000210736 [0,2,0,0,0,0|1,0,0]=3 3223 B20R0.28385 CCCCCCCCCCNC(=O)NC(C#N)CC(C)C 2708a_100000684558_100000741378 [0,2,0,0,0,0|2,0,0]=4 3224 B20R0.28385 CCCCCCCCCCNC(=O)NC(C#N)CC(C)C 2708a_100000741378_100000684558 [0,2,0,0,0,0|2,0,0]=4 3225 B20R0.28385 CCCCCCCCCCNC(=O)NC(C#N)CC(C)C 273464a_100000684558_100000741378 [0,2,0,0,0,0|2,0,0]=4 3226 B20R0.28385 CCCCCCCCCCNC(=O)NC(C#N)CC(C)C 273464a_100000741378_100000684558 [0,2,0,0,0,0|2,0,0]=4 3227 B20R0.28385 CCCCCCCCCCNC(=O)NC(C#N)CC(C)C 512a_100000684558_100000741378 [0,2,0,0,0,0|2,0,0]=4 3228 B20R0.28385 CCCCCCCCCCNC(=O)NC(C#N)CC(C)C 512a_100000741378_100000684558 [0,2,0,0,0,0|2,0,0]=4 3229 B20R0.28385 CCCCCCCCCCNC(=O)N[C@H](CO)CC(C)C 2708a_100000684558_100011830311 [0,2,0,0,0,0|2,0,0]=4 3230 B20R0.28385 CCCCCCCCCCNC(=O)N[C@H](CO)CC(C)C 273464a_100000684558_100011830311 [0,2,0,0,0,0|2,0,0]=4 3231 B20R0.28385 CCCCCCCCCCNC(=O)N[C@H](CO)CC(C)C 273464a_100011830311_100000684558 [0,2,0,0,0,0|2,0,0]=4 3232 B20R0.28385 CCCCCCCCCCNC(=O)N[C@H](CO)CC(C)C 512a_100000684558_100011830311 [0,2,0,0,0,0|2,0,0]=4 3233 B20R0.28385 CCCCCCCCCCNC(=O)N[C@H](CO)CC(C)C 512a_100011830311_100000684558 [0,2,0,0,0,0|2,0,0]=4 3234 B20R0.28387 CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)C(C)C 1458a_100007851598_100000210206 [0,2,0,0,0,0|1,0,1]=4 3235 B20R0.113806 CC(C)CC(C)(C)NC(=O)CCCCCCCCCCO 240690a_100011346068_200000016029 [0,2,0,0,0,0|2,0,0]=4 3236 B20R0.113806 CCCCCCCCCCCC(=O)CS(=O)(=O)CC(C)C 1458a_200000740652_100011215454 [0,2,0,0,0,0|2,0,0]=4 3237 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CC(C)C 11a_100011346068_100000210736 [0,2,0,0,0,0|1,0,0]=3 3238 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CC(C)C 1626a_100011346068_100000210736 [0,2,0,0,0,0|1,0,0]=3 3239 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CC(C)C 240690a_100011346068_100000210736 [0,2,0,0,0,0|1,0,0]=3 3240 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CN(C)C 11a_100015183317_100000210736 [0,2,0,0,0,0|2,0,0]=4 3241 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CN(C)C 1626a_100015183317_100000210736 [0,2,0,0,0,0|2,0,0]=4 3242 B20R0.113806 CCCCCCCCCCCC(=O)NC(C)(C)CN(C)C 240690a_100015183317_100000210736 [0,2,0,0,0,0|2,0,0]=4 3243 B20R0.113806 CCCCCCCCCCCC(=O)NS(=O)(=O)CC(C)C 2740a_100000748329_100000210736 [0,2,0,0,0,0|2,0,0]=4 3244 B20R0.113806 CCCCCCCCCCNC(=O)NC(C)(C)CC(C)C 2708a_100000684558_100011346068 [0,2,0,0,0,0|2,0,0]=4 3245 B20R0.113806 CCCCCCCCCCNC(=O)NC(C)(C)CC(C)C 273464a_100000684558_100011346068 [0,2,0,0,0,0|2,0,0]=4 3246 B20R0.113806 CCCCCCCCCCNC(=O)NC(C)(C)CC(C)C 273464a_100011346068_100000684558 [0,2,0,0,0,0|2,0,0]=4 3247 B20R0.113806 CCCCCCCCCCNC(=O)NC(C)(C)CC(C)C 512a_100000684558_100011346068 [0,2,0,0,0,0|2,0,0]=4 3248 B20R0.113806 CCCCCCCCCCNC(=O)NC(C)(C)CC(C)C 512a_100011346068_100000684558 [0,2,0,0,0,0|2,0,0]=4 3249 B20R0.34 CCOC(=O)CCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100010175975 [0,2,0,0,0,0|1,0,1]=4 3250 B20R0.34 CCOC(=O)CCCCCCCCC(=O)CCCC(C)C 1458a_200000016031_100011214892 [0,2,0,0,0,0|1,0,1]=4 3251 B20R0.34 CCOC(=O)CCCCCCCCC(=O)NCCC(C)C 11a_100000210545_200000016031 [0,2,0,0,0,0|1,0,1]=4 3252 B20R0.34 CCOC(=O)CCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_200000016031 [0,2,0,0,0,0|1,0,1]=4 3253 B20R0.34 CCOC(=O)CCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_200000016031 [0,2,0,0,0,0|1,0,1]=4 3254 B20R0.34 CCOC(=O)CCCCCCCCC(=O)NCCC(C)C 527a_100000210545_200000016031 [0,2,0,0,0,0|1,0,1]=4 3255 B20R0.111 CC(C)C(O)CNC(=O)CCCCCCCCCCCO 240690a_100000759067_100000037981 [0,2,0,0,0,0|1,0,0]=3 3256 B20R0.111 CC(C)C(O)CNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000759067 [0,2,0,0,0,0|2,0,0]=4 3257 B20R0.111 CC(C)C(O)CNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000759067 [0,2,0,0,0,0|2,0,0]=4 3258 B20R0.111 CC(C)C(O)CNC(=O)NCCCCCCCCCCO 273464a_100000759067_100000066964 [0,2,0,0,0,0|2,0,0]=4 3259 B20R0.111 CC(C)C(O)CNC(=O)NCCCCCCCCCCO 512a_100000066964_100000759067 [0,2,0,0,0,0|2,0,0]=4 3260 B20R0.111 CC(C)C(O)CNC(=O)NCCCCCCCCCCO 512a_100000759067_100000066964 [0,2,0,0,0,0|2,0,0]=4 3261 B20R0.111 CCCCCCCCCCC=CC(=O)NCC(O)C(C)C 11a_100000759067_100015291182 [0,2,0,0,0,0|1,0,1]=4 3262 B20R0.111 CCCCCCCCCCC=CC(=O)NCC(O)C(C)C 240690a_100000759067_100015291182 [0,2,0,0,0,0|1,0,1]=4 3263 B20R0.111 CCCCCCCCCCCCC(=O)NCC(O)C(C)C 11a_100000759067_100011215791 [0,2,0,0,0,0|1,0,0]=3 3264 B20R0.111 CCCCCCCCCCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100011215791 [0,2,0,0,0,0|1,0,0]=3 3265 B20R0.111 CCCCCCCCCCCNC(=O)CCN(C)C(C)C 1626a_200011215754_100015184040 [0,2,0,0,0,0|2,0,0]=4 3266 B20R0.111 CCCCCCCCCCCNC(=O)CCN(C)C(C)C 240690a_200011215754_100015184040 [0,2,0,0,0,0|2,0,0]=4 3267 B20R0.111 CCCCCCCCCCCNC(=O)NCC(O)C(C)C 2708a_200011215754_100000759067 [0,2,0,0,0,0|1,0,0]=3 3268 B20R0.111 CCCCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_100000759067_200011215754 [0,2,0,0,0,0|1,0,0]=3 3269 B20R0.111 CCCCCCCCCCCNC(=O)NCC(O)C(C)C 273464a_200011215754_100000759067 [0,2,0,0,0,0|1,0,0]=3 3270 B20R0.111 CCCCCCCCCCCNC(=O)NCC(O)C(C)C 512a_100000759067_200011215754 [0,2,0,0,0,0|1,0,0]=3 3271 B20R0.111 CCCCCCCCCCCNC(=O)NCC(O)C(C)C 512a_200011215754_100000759067 [0,2,0,0,0,0|1,0,0]=3 3272 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210451_100000210545 [0,2,0,0,0,0|1,0,0]=3 3273 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)C 2708a_100000210545_100000210451 [0,2,0,0,0,0|1,0,0]=3 3274 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210451_100000210545 [0,2,0,0,0,0|1,0,0]=3 3275 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)C 273464a_100000210545_100000210451 [0,2,0,0,0,0|1,0,0]=3 3276 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210451_100000210545 [0,2,0,0,0,0|1,0,0]=3 3277 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)C 512a_100000210545_100000210451 [0,2,0,0,0,0|1,0,0]=3 3278 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)O 2708a_100000210451_200000755665 [0,2,0,0,0,0|2,0,0]=4 3279 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)O 273464a_200000755665_100000210451 [0,2,0,0,0,0|2,0,0]=4 3280 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)O 512a_100000210451_200000755665 [0,2,0,0,0,0|2,0,0]=4 3281 B20R0.138 CCCCCCCCCCCCNC(=O)NCCC(C)O 512a_200000755665_100000210451 [0,2,0,0,0,0|2,0,0]=4 3282 B20R0.138 CCCCCCCCCCCCNC(=O)NCCN(C)C 2708a_100000210451_100000210585 [0,2,0,0,0,0|2,0,0]=4 3283 B20R0.138 CCCCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210451_100000210585 [0,2,0,0,0,0|2,0,0]=4 3284 B20R0.138 CCCCCCCCCCCCNC(=O)NCCN(C)C 273464a_100000210585_100000210451 [0,2,0,0,0,0|2,0,0]=4 3285 B20R0.138 CCCCCCCCCCCCNC(=O)NCCN(C)C 512a_100000210451_100000210585 [0,2,0,0,0,0|2,0,0]=4 3286 B20R0.138 CCCCCCCCCCCCNC(=O)NNCC(C)C 273464a_100000210451_100000696102 [0,2,0,0,0,0|2,0,0]=4 3287 B20R0.138 CCCCCCCCCCCCNC(=O)NNCC(C)C 512a_100000210451_100000696102 [0,2,0,0,0,0|2,0,0]=4 3288 B20R0.138 CCCCCCCCCCCCNC(=O)NNCC(C)C 512a_100000696102_100000210451 [0,2,0,0,0,0|2,0,0]=4 3289 B20R0.3022 COC(=O)CCCCCCCCCC(=O)CCCC(C)C 1458a_100009997464_100011214892 [0,2,0,0,0,0|1,0,1]=4 3290 B20R0.3022 COC(=O)CCCCCCCCCC(=O)CCCC(C)C 1458a_100011216857_100009813843 [0,2,0,0,0,0|1,0,1]=4 3291 B20R0.3022 COC(=O)CCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100009997464 [0,2,0,0,0,0|1,0,1]=4 3292 B20R0.3022 COC(=O)CCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100009997464 [0,2,0,0,0,0|1,0,1]=4 3293 B20R0.3022 COC(=O)CCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100009997464 [0,2,0,0,0,0|1,0,1]=4 3294 B20R0.17439 CCCCCCCCCC(=O)OCC(=O)CCCC(C)C 1458a_100011216857_200010990708 [0,2,0,0,0,0|1,0,1]=4 3295 B20R0.22235 CC(CO)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_106354213184 [0,2,0,0,0,0|2,0,0]=4 3296 B20R0.22235 CC(CO)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_106354213184 [0,2,0,0,0,0|2,0,0]=4 3297 B20R0.22235 CC(CO)CCNC(=O)NCCCCCCCCCCO 273464a_106354213184_100000066964 [0,2,0,0,0,0|2,0,0]=4 3298 B20R0.22235 CC(CO)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_106354213184 [0,2,0,0,0,0|2,0,0]=4 3299 B20R0.22235 CC(CO)CCNC(=O)NCCCCCCCCCCO 512a_106354213184_100000066964 [0,2,0,0,0,0|2,0,0]=4 3300 B20R0.22235 CCC(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100020591266 [0,2,0,0,0,0|2,0,0]=4 3301 B20R0.22235 CCC(C)CCNC(=O)NCCCCCCCCCCO 2708a_100020591266_100000066964 [0,2,0,0,0,0|2,0,0]=4 3302 B20R0.22235 CCC(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100020591266 [0,2,0,0,0,0|2,0,0]=4 3303 B20R0.22235 CCC(C)CCNC(=O)NCCCCCCCCCCO 273464a_100020591266_100000066964 [0,2,0,0,0,0|2,0,0]=4 3304 B20R0.22235 CCC(C)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100020591266 [0,2,0,0,0,0|2,0,0]=4 3305 B20R0.22235 CCC(C)CCNC(=O)NCCCCCCCCCCO 512a_100020591266_100000066964 [0,2,0,0,0,0|2,0,0]=4 3306 B20R0.22235 CCCCCCCCCCC=CC(=O)NCCC(C)CC 11a_100020591266_100015291182 [0,2,0,0,0,0|1,0,1]=4 3307 B20R0.22235 CCCCCCCCCCC=CC(=O)NCCC(C)CC 1626a_100020591266_100015291182 [0,2,0,0,0,0|1,0,1]=4 3308 B20R0.22235 CCCCCCCCCCC=CC(=O)NCCC(C)CC 240690a_100020591266_100015291182 [0,2,0,0,0,0|1,0,1]=4 3309 B20R0.22235 CCCCCCCCCCC=CC(=O)NCCC(C)CO 240690a_106354213184_100015291182 [0,2,0,0,0,0|1,0,1]=4 3310 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CC 2708a_100020591266_200011215754 [0,2,0,0,0,0|1,0,0]=3 3311 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CC 2708a_200011215754_100020591266 [0,2,0,0,0,0|1,0,0]=3 3312 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CC 273464a_100020591266_200011215754 [0,2,0,0,0,0|1,0,0]=3 3313 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CC 273464a_200011215754_100020591266 [0,2,0,0,0,0|1,0,0]=3 3314 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CC 512a_100020591266_200011215754 [0,2,0,0,0,0|1,0,0]=3 3315 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CC 512a_200011215754_100020591266 [0,2,0,0,0,0|1,0,0]=3 3316 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CO 2708a_200011215754_106354213184 [0,2,0,0,0,0|1,0,0]=3 3317 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CO 273464a_106354213184_200011215754 [0,2,0,0,0,0|1,0,0]=3 3318 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CO 273464a_200011215754_106354213184 [0,2,0,0,0,0|1,0,0]=3 3319 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CO 512a_106354213184_200011215754 [0,2,0,0,0,0|1,0,0]=3 3320 B20R0.22235 CCCCCCCCCCCNC(=O)NCCC(C)CO 512a_200011215754_106354213184 [0,2,0,0,0,0|1,0,0]=3 3321 B20R0.22244 CC(C)(C)CCNC(=O)CCCCCCCCCCCO 240690a_100000738805_100000037981 [0,2,0,0,0,0|1,0,0]=3 3322 B20R0.22244 CC(C)(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000738805 [0,2,0,0,0,0|2,0,0]=4 3323 B20R0.22244 CC(C)(C)CCNC(=O)NCCCCCCCCCCO 2708a_100000738805_100000066964 [0,2,0,0,0,0|2,0,0]=4 3324 B20R0.22244 CC(C)(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000738805 [0,2,0,0,0,0|2,0,0]=4 3325 B20R0.22244 CC(C)(C)CCNC(=O)NCCCCCCCCCCO 273464a_100000738805_100000066964 [0,2,0,0,0,0|2,0,0]=4 3326 B20R0.22244 CC(C)(C)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000738805 [0,2,0,0,0,0|2,0,0]=4 3327 B20R0.22244 CC(C)(C)CCNC(=O)NCCCCCCCCCCO 512a_100000738805_100000066964 [0,2,0,0,0,0|2,0,0]=4 3328 B20R0.22244 CC(C)(F)CCNC(=O)CCCCCCCCCCCO 240690a_100016253952_100000037981 [0,2,0,0,0,0|1,0,0]=3 3329 B20R0.22244 CC(C)(F)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100016253952 [0,2,0,0,0,0|2,0,0]=4 3330 B20R0.22244 CC(C)(F)CCNC(=O)NCCCCCCCCCCO 2708a_100016253952_100000066964 [0,2,0,0,0,0|2,0,0]=4 3331 B20R0.22244 CC(C)(F)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100016253952 [0,2,0,0,0,0|2,0,0]=4 3332 B20R0.22244 CC(C)(F)CCNC(=O)NCCCCCCCCCCO 273464a_100016253952_100000066964 [0,2,0,0,0,0|2,0,0]=4 3333 B20R0.22244 CC(C)(F)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100016253952 [0,2,0,0,0,0|2,0,0]=4 3334 B20R0.22244 CC(C)(F)CCNC(=O)NCCCCCCCCCCO 512a_100016253952_100000066964 [0,2,0,0,0,0|2,0,0]=4 3335 B20R0.22244 CC(C)(O)CCNC(=O)NCCCCCCCCCCO 2708a_100000066964_100000707701 [0,2,0,0,0,0|2,0,0]=4 3336 B20R0.22244 CC(C)(O)CCNC(=O)NCCCCCCCCCCO 2708a_100000707701_100000066964 [0,2,0,0,0,0|2,0,0]=4 3337 B20R0.22244 CC(C)(O)CCNC(=O)NCCCCCCCCCCO 273464a_100000066964_100000707701 [0,2,0,0,0,0|2,0,0]=4 3338 B20R0.22244 CC(C)(O)CCNC(=O)NCCCCCCCCCCO 273464a_100000707701_100000066964 [0,2,0,0,0,0|2,0,0]=4 3339 B20R0.22244 CC(C)(O)CCNC(=O)NCCCCCCCCCCO 512a_100000066964_100000707701 [0,2,0,0,0,0|2,0,0]=4 3340 B20R0.22244 CC(C)(O)CCNC(=O)NCCCCCCCCCCO 512a_100000707701_100000066964 [0,2,0,0,0,0|2,0,0]=4 3341 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)C 11a_100000738805_100015291182 [0,2,0,0,0,0|1,0,1]=4 3342 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)C 1626a_100000738805_100015291182 [0,2,0,0,0,0|1,0,1]=4 3343 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)C 240690a_100000738805_100015291182 [0,2,0,0,0,0|1,0,1]=4 3344 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)F 11a_100016253952_100015291182 [0,2,0,0,0,0|1,0,1]=4 3345 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)F 1626a_100016253952_100015291182 [0,2,0,0,0,0|1,0,1]=4 3346 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)F 240690a_100016253952_100015291182 [0,2,0,0,0,0|1,0,1]=4 3347 B20R0.22244 CCCCCCCCCCC=CC(=O)NCCC(C)(C)O 1626a_100000707701_100015291182 [0,2,0,0,0,0|1,0,1]=4 3348 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)C 11a_100000738805_100011215791 [0,2,0,0,0,0|1,0,0]=3 3349 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100011215791 [0,2,0,0,0,0|1,0,0]=3 3350 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100011215791 [0,2,0,0,0,0|1,0,0]=3 3351 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)F 11a_100016253952_100011215791 [0,2,0,0,0,0|1,0,0]=3 3352 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100011215791 [0,2,0,0,0,0|1,0,0]=3 3353 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100011215791 [0,2,0,0,0,0|1,0,0]=3 3354 B20R0.22244 CCCCCCCCCCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100011215791 [0,2,0,0,0,0|1,0,0]=3 3355 B20R0.22244 CCCCCCCCCCCCC(=O)NCC[N+](C)(C)C 1626a_100000106457_100011215791 [0,2,0,0,0,0|2,0,0]=4 3356 B20R0.22244 CCCCCCCCCCCCC(=O)NCC[N+](C)(C)C 240690a_100000106457_100011215791 [0,2,0,0,0,0|2,0,0]=4 3357 B20R0.22244 CCCCCCCCCCCNC(=O)CCC[N+](C)(C)C 11a_200011215754_100000085584 [0,2,0,0,0,0|2,0,0]=4 3358 B20R0.22244 CCCCCCCCCCCNC(=O)CCC[N+](C)(C)C 1626a_200011215754_100000085584 [0,2,0,0,0,0|2,0,0]=4 3359 B20R0.22244 CCCCCCCCCCCNC(=O)CCC[N+](C)(C)C 240690a_200011215754_100000085584 [0,2,0,0,0,0|2,0,0]=4 3360 B20R0.22244 CCCCCCCCCCCNC(=O)CCC[N+](C)(C)C 527a_200011215754_100000085584 [0,2,0,0,0,0|2,0,0]=4 3361 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_100000738805_200011215754 [0,2,0,0,0,0|1,0,0]=3 3362 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)C 2708a_200011215754_100000738805 [0,2,0,0,0,0|1,0,0]=3 3363 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_100000738805_200011215754 [0,2,0,0,0,0|1,0,0]=3 3364 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)C 273464a_200011215754_100000738805 [0,2,0,0,0,0|1,0,0]=3 3365 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)C 512a_100000738805_200011215754 [0,2,0,0,0,0|1,0,0]=3 3366 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)C 512a_200011215754_100000738805 [0,2,0,0,0,0|1,0,0]=3 3367 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_100016253952_200011215754 [0,2,0,0,0,0|1,0,0]=3 3368 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)F 2708a_200011215754_100016253952 [0,2,0,0,0,0|1,0,0]=3 3369 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_100016253952_200011215754 [0,2,0,0,0,0|1,0,0]=3 3370 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)F 273464a_200011215754_100016253952 [0,2,0,0,0,0|1,0,0]=3 3371 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)F 512a_100016253952_200011215754 [0,2,0,0,0,0|1,0,0]=3 3372 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)F 512a_200011215754_100016253952 [0,2,0,0,0,0|1,0,0]=3 3373 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_100000707701_200011215754 [0,2,0,0,0,0|1,0,0]=3 3374 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)O 2708a_200011215754_100000707701 [0,2,0,0,0,0|1,0,0]=3 3375 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_100000707701_200011215754 [0,2,0,0,0,0|1,0,0]=3 3376 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)O 273464a_200011215754_100000707701 [0,2,0,0,0,0|1,0,0]=3 3377 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)O 512a_100000707701_200011215754 [0,2,0,0,0,0|1,0,0]=3 3378 B20R0.22244 CCCCCCCCCCCNC(=O)NCCC(C)(C)O 512a_200011215754_100000707701 [0,2,0,0,0,0|1,0,0]=3 3379 B20R0.22244 CCCCCCCCCCCNC(=O)NCC[N+](C)(C)C 2708a_200011215754_100000106457 [0,2,0,0,0,0|2,0,0]=4 3380 B20R0.22244 CCCCCCCCCCCNC(=O)NCC[N+](C)(C)C 273464a_100000106457_200011215754 [0,2,0,0,0,0|2,0,0]=4 3381 B20R0.22244 CCCCCCCCCCCNC(=O)NCC[N+](C)(C)C 273464a_200011215754_100000106457 [0,2,0,0,0,0|2,0,0]=4 3382 B20R0.22244 CCCCCCCCCCCNC(=O)NCC[N+](C)(C)C 512a_100000106457_200011215754 [0,2,0,0,0,0|2,0,0]=4 3383 B20R0.22244 CCCCCCCCCCCNC(=O)NCC[N+](C)(C)C 512a_200011215754_100000106457 [0,2,0,0,0,0|2,0,0]=4 3384 B20R0.22244 C[N+](C)(C)CCNC(=O)CCCCCCCCCCCO 240690a_100000106457_100000037981 [0,2,0,0,0,0|2,0,0]=4 3385 B20R0.28260 CC(C)CCN(C)C(=O)CCCCCCCCCCCO 240690a_100000742789_100000037981 [0,2,0,0,0,0|1,0,0]=3 3386 B20R0.28260 CC(C)CCN(C)C(=O)NCCCCCCCCCCO 2708a_100000066964_100000742789 [0,2,0,0,0,0|2,0,0]=4 3387 B20R0.28260 CC(C)CCN(C)C(=O)NCCCCCCCCCCO 273464a_100000066964_100000742789 [0,2,0,0,0,0|2,0,0]=4 3388 B20R0.28260 CC(C)CNC(=O)C(=O)CCCCCCCCCCCO 1458a_200011297155_100009812471 [0,2,0,0,0,0|2,0,0]=4 3389 B20R0.28260 CCCCCCCCCCC=CC(=O)N(C)CCC(C)C 11a_100000742789_100015291182 [0,2,0,0,0,0|1,0,1]=4 3390 B20R0.28260 CCCCCCCCCCC=CC(=O)N(C)CCC(C)C 1626a_100000742789_100015291182 [0,2,0,0,0,0|1,0,1]=4 3391 B20R0.28260 CCCCCCCCCCC=CC(=O)N(C)CCC(C)C 240690a_100000742789_100015291182 [0,2,0,0,0,0|1,0,1]=4 3392 B20R0.28260 CCCCCCCCCCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000759014 [0,2,0,0,0,0|2,0,0]=4 3393 B20R0.28260 CCCCCCCCCCCCC(=O)N(C)CCC(C)C 11a_100000742789_100011215791 [0,2,0,0,0,0|1,0,0]=3 3394 B20R0.28260 CCCCCCCCCCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100011215791 [0,2,0,0,0,0|1,0,0]=3 3395 B20R0.28260 CCCCCCCCCCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100011215791 [0,2,0,0,0,0|1,0,0]=3 3396 B20R0.28260 CCCCCCCCCCCCC(=O)N(C)CCN(C)C 240690a_100000225618_100011215791 [0,2,0,0,0,0|2,0,0]=4 3397 B20R0.28260 CCCCCCCCCCCNC(=O)C(=O)NCC(C)C 1626a_200011215754_200011297155 [0,2,0,0,0,0|2,0,0]=4 3398 B20R0.28260 CCCCCCCCCCCNC(=O)C(=O)NCC(C)C 240690a_200011215754_200011297155 [0,2,0,0,0,0|2,0,0]=4 3399 B20R0.28260 CCCCCCCCCCCNC(=O)C(=O)NCC(C)C 527a_200011215754_200011297155 [0,2,0,0,0,0|2,0,0]=4 3400 B20R0.28260 CCCCCCCCCCCNC(=O)N(C)CCC(C)C 2708a_200011215754_100000742789 [0,2,0,0,0,0|1,0,0]=3 3401 B20R0.28260 CCCCCCCCCCCNC(=O)N(C)CCC(C)C 273464a_200011215754_100000742789 [0,2,0,0,0,0|1,0,0]=3 3402 B20R0.28260 CCCCCCCCCCCNC(=O)N(C)CCN(C)C 2708a_200011215754_100000225618 [0,2,0,0,0,0|2,0,0]=4 3403 B20R0.28260 CCCCCCCCCCCNC(=O)N(C)CCN(C)C 273464a_200011215754_100000225618 [0,2,0,0,0,0|2,0,0]=4 3404 B20R0.28260 CN(C)CCN(C)C(=O)CCCCCCCCCCCO 240690a_100000225618_100000037981 [0,2,0,0,0,0|2,0,0]=4 3405 B20R0.8329 CC(C)CCCCCCCOC(C)C(=O)NCCC(C)C 34a_200000210741_100000735922 [0,2,0,0,0,0|2,0,0]=4 3406 B20R0.8329 CC(C)CCCCCCCOC(C)C(=O)NCCC(C)C 7a_200000210741_100000735922 [0,2,0,0,0,0|2,0,0]=4 3407 B20R0.32057 CCCCCCCCCC(O)CC(=O)N(C)CCC(C)C 1626a_100000742789_200012339438 [0,2,0,0,0,0|1,0,0]=3 3408 B20R0.32057 CCCCCCCCCC(O)CC(=O)N(C)CCC(C)C 240690a_100000742789_200012339438 [0,2,0,0,0,0|1,0,0]=3 3409 B20R0.32057 CCCCCCCCCC(O)CC(=O)N(C)CCN(C)C 240690a_100000225618_200012339438 [0,2,0,0,0,0|2,0,0]=4 3410 B20R0.32062 CCCCCCCCCC(O)CC(=O)NCCC(C)CC 1626a_100020591266_200012339438 [0,2,0,0,0,0|1,0,0]=3 3411 B20R0.32062 CCCCCCCCCC(O)CC(=O)NCCC(C)CC 240690a_100020591266_200012339438 [0,2,0,0,0,0|1,0,0]=3 3412 B20R0.32062 CCCCCCCCCC(O)CC(=O)NCCC(C)CO 240690a_106354213184_200012339438 [0,2,0,0,0,0|1,0,0]=3 3413 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCCC(C)(C)C 1626a_100000738805_200012339438 [0,2,0,0,0,0|1,0,0]=3 3414 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCCC(C)(C)C 240690a_100000738805_200012339438 [0,2,0,0,0,0|1,0,0]=3 3415 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCCC(C)(C)F 1626a_100016253952_200012339438 [0,2,0,0,0,0|1,0,0]=3 3416 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCCC(C)(C)F 240690a_100016253952_200012339438 [0,2,0,0,0,0|1,0,0]=3 3417 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCCC(C)(C)O 1626a_100000707701_200012339438 [0,2,0,0,0,0|1,0,0]=3 3418 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCC[N+](C)(C)C 1626a_100000106457_200012339438 [0,2,0,0,0,0|2,0,0]=4 3419 B20R0.32064 CCCCCCCCCC(O)CC(=O)NCC[N+](C)(C)C 240690a_100000106457_200012339438 [0,2,0,0,0,0|2,0,0]=4 3420 B20R0.32414 CCCCCCCCCC(O)CC(=O)NCC(O)C(C)C 240690a_100000759067_200012339438 [0,2,0,0,0,0|1,0,0]=3 3421 B20R0.32420 CCCCCCCCCC(=O)C(C)C(=O)NCCC(C)C 1458a_100000210558_100000735922 [0,2,0,0,0,0|1,0,1]=4 3422 B20R0.32420 CCCCCCCCCN(C)C(C)C(=O)NCCC(C)C 2230a_100000232482_100000735922 [0,2,0,0,0,0|2,0,0]=4 3423 B20R0.32420 CCCCCCCCCN(C)C(C)C(=O)NCCC(C)C 269982a_100000232482_100000735922 [0,2,0,0,0,0|2,0,0]=4 3424 B20R0.15168 CCCCC(C)CCCCOC(C)C(=O)NCCC(C)C 34a_200011021034_100000735922 [0,2,0,0,0,0|2,0,0]=4 3425 B20R0.15168 CCCCC(C)CCCCOC(C)C(=O)NCCC(C)C 7a_200011021034_100000735922 [0,2,0,0,0,0|2,0,0]=4 3426 B20R0.8497 C/C=C(\C)/C(=O)COC(=O)CCCCCCCCCCC 1458a_100020587367_100020644155 [0,2,0,0,0,0|0,0,2]=4 3427 B20R0.8497 C=CC(C)C(=O)COC(=O)CCCCCCCCCCC 1458a_100011216780_100020644155 [0,2,0,0,0,0|0,0,2]=4 3428 B20R0.8497 CCCCCCCCCCCC(=O)NCC(=O)C(C)CC 1458a_100001278556_100000758301 [0,2,0,0,0,0|1,0,1]=4 3429 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(C)C#N 1458a_100000753662_100020644155 [0,2,0,0,0,0|0,0,2]=4 3430 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100020644155 [0,2,0,0,0,0|0,0,1]=3 3431 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(C)OC 1458a_100000743197_100020644155 [0,2,0,0,0,0|0,0,1]=3 3432 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(C)SC 1458a_100000149566_100020644155 [0,2,0,0,0,0|0,0,1]=3 3433 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(O)CC 1458a_100011196387_100020644155 [0,2,0,0,0,0|1,0,1]=4 3434 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(O)CO 1458a_100011215603_100020644155 [0,2,0,0,0,0|1,0,1]=4 3435 B20R0.8497 CCCCCCCCCCCC(=O)OCN(C)C(C)CC 2230a_100000741768_100020644155 [0,2,0,0,0,0|1,0,0]=3 3436 B20R0.8497 CCCCCCCCCCCC(=O)OCN(C)C(C)CC 269982a_100000741768_100020644155 [0,2,0,0,0,0|1,0,0]=3 3437 B20R0.8497 CCCCCCCCCCCC(=O)OCN(C)C(C)CO 2230a_100000693034_100020644155 [0,2,0,0,0,0|1,0,0]=3 3438 B20R0.8497 CCCCCCCCCCCC(=O)OCN(C)C(C)CO 269982a_100000693034_100020644155 [0,2,0,0,0,0|1,0,0]=3 3439 B20R0.10432 C#CCC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100011220946_100000091854 [0,2,0,0,0,0|1,0,1]=4 3440 B20R0.10432 C#CCC(C)OCOC(=O)CCCCCCCCCCC 34a_100000685586_100020644155 [0,2,0,0,0,0|1,0,0]=3 3441 B20R0.10432 C#CCC(C)OCOC(=O)CCCCCCCCCCC 7a_100000685586_100020644155 [0,2,0,0,0,0|1,0,0]=3 3442 B20R0.10432 C#CCN(C)CCOC(=O)CCCCCCCCCCC 2230a_100000225692_100000091854 [0,2,0,0,0,0|1,0,0]=3 3443 B20R0.10432 C#CCN(C)CCOC(=O)CCCCCCCCCCC 34a_100000225692_100000091854 [0,2,0,0,0,0|1,0,0]=3 3444 B20R0.10432 C/C=C/C(C)OCOC(=O)CCCCCCCCCCC 34a_200102604097_100020644155 [0,2,0,0,0,0|1,0,0]=3 3445 B20R0.10432 CC#CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000763181_100000091854 [0,2,0,0,0,0|1,0,1]=4 3446 B20R0.10432 CC#CC(C)OCOC(=O)CCCCCCCCCCC 34a_100011216543_100020644155 [0,2,0,0,0,0|1,0,0]=3 3447 B20R0.10432 CC=CC(=O)CCOC(=O)CCCCCCCCCCC 1458a_100000210699_100000091854 [0,2,0,0,0,0|1,0,1]=4 3448 B20R0.10432 CCCCCCCCCCCC(=O)OCCC(=O)CC#N 1458a_100051588842_100000091854 [0,2,0,0,0,0|1,0,1]=4 3449 B20R0.10432 CCCCCCCCCCCC(=O)OCCN(C)CC#N 2230a_100000748184_100000091854 [0,2,0,0,0,0|1,0,0]=3 3450 B20R0.10432 CCCCCCCCCCCC(=O)OCN[C@@H](C)CC#N 2230a_100016994482_100020644155 [0,2,0,0,0,0|1,0,0]=3 3451 B20R0.10432 CCCCCCCCCCCC(=O)OCSC(C)CC#N 62a_100009813641_100020644155 [0,2,0,0,0,0|1,0,0]=3 3452 B20R0.16451 CCCCCCCCCCN(C)C(=O)NCCC(C)CC 2708a_100020591266_100000207566 [0,2,0,0,0,0|2,0,0]=4 3453 B20R0.16451 CCCCCCCCCCN(C)C(=O)NCCC(C)CC 273464a_100020591266_100000207566 [0,2,0,0,0,0|2,0,0]=4 3454 B20R0.16451 CCCCCCCCCCN(C)C(=O)NCCC(C)CO 273464a_106354213184_100000207566 [0,2,0,0,0,0|2,0,0]=4 3455 B20R0.31983 C#CC(CC)OCOC(=O)CCCCCCCCCCC 34a_100000758843_100020644155 [0,2,0,0,0,0|1,0,1]=4 3456 B20R0.31983 C#CC(CC)OCOC(=O)CCCCCCCCCCC 7a_100000758843_100020644155 [0,2,0,0,0,0|1,0,1]=4 3457 B20R0.242976 C#CC(C)(C)NCOC(=O)CCCCCCCCCCC 34a_100000054563_100020644155 [0,2,0,0,0,0|1,0,0]=3 3458 B20R0.242976 C#CC(C)(C)OCOC(=O)CCCCCCCCCCC 34a_100000189450_100020644155 [0,2,0,0,0,0|1,0,0]=3 3459 B20R0.242976 C#CC(C)(C)OCOC(=O)CCCCCCCCCCC 7a_100000189450_100020644155 [0,2,0,0,0,0|1,0,0]=3 3460 B20R0.242976 C#CC(C)(C)SCOC(=O)CCCCCCCCCCC 62a_100000038118_100020644155 [0,2,0,0,0,0|1,0,0]=3 3461 B20R0.242976 C=CC(C)(C)OCOC(=O)CCCCCCCCCCC 34a_100011215311_100020644155 [0,2,0,0,0,0|1,0,0]=3 3462 B20R0.242976 C=CC(C)(C)OCOC(=O)CCCCCCCCCCC 7a_100011215311_100020644155 [0,2,0,0,0,0|1,0,0]=3 3463 B20R0.242976 CCCCCCCCCCCC(=O)OCNC(C)(C)CC 2230a_100000211385_100020644155 [0,2,0,0,0,0|1,0,0]=3 3464 B20R0.242976 CCCCCCCCCCCC(=O)OCNC(C)(C)CO 2230a_100000210608_100020644155 [0,2,0,0,0,0|1,0,0]=3 3465 B20R0.242976 CCCCCCCCCCCC(=O)OCOC(C)(C)C#N 34a_200015195151_100020644155 [0,2,0,0,0,0|1,0,0]=3 3466 B20R0.242976 CCCCCCCCCCCC(=O)OCOC(C)(C)CC 7a_100000210230_100020644155 [0,2,0,0,0,0|1,0,0]=3 3467 B20R0.242976 CCCCCCCCCCCC(=O)OCOC(C)(C)CCl 7a_100000764493_100020644155 [0,2,0,0,0,0|1,0,0]=3 3468 B20R0.242976 CCCCCCCCCCCC(=O)OCSC(C)(C)C#N 62a_100011162410_100020644155 [0,2,0,0,0,0|1,0,0]=3 3469 B20R0.242976 CCCCCCCCCCCC(=O)OCSC(F)(F)CO 62a_100011217949_100020644155 [0,2,0,0,0,0|2,0,0]=4 3470 B20R0.16461 CCCCCCCCCCN(C)C(=O)NCCC(C)(C)C 2708a_100000738805_100000207566 [0,2,0,0,0,0|2,0,0]=4 3471 B20R0.16461 CCCCCCCCCCN(C)C(=O)NCCC(C)(C)C 273464a_100000738805_100000207566 [0,2,0,0,0,0|2,0,0]=4 3472 B20R0.16461 CCCCCCCCCCN(C)C(=O)NCCC(C)(C)F 2708a_100016253952_100000207566 [0,2,0,0,0,0|2,0,0]=4 3473 B20R0.16461 CCCCCCCCCCN(C)C(=O)NCCC(C)(C)F 273464a_100016253952_100000207566 [0,2,0,0,0,0|2,0,0]=4 3474 B20R0.16461 CCCCCCCCCCN(C)C(=O)NCCC(C)(C)O 2708a_100000707701_100000207566 [0,2,0,0,0,0|2,0,0]=4 3475 B20R0.16461 CCCCCCCCCCN(C)C(=O)NCCC(C)(C)O 273464a_100000707701_100000207566 [0,2,0,0,0,0|2,0,0]=4 3476 B20R0.28383 CCCCCCCCCCCC(=O)NC[C@@H](F)C(C)(C)O 1626a_100015379105_100000210736 [0,2,0,0,0,0|1,0,0]=3 3477 B20R0.28383 CCCCCCCCCCCC(=O)OCC(=O)C(C)(C)C 1458a_106744555173_100020644155 [0,2,0,0,0,0|0,0,1]=3 3478 B20R0.28383 CCCCCCCCCCCC(=O)OCC(=O)C(C)(C)F 1458a_100000765255_100020644155 [0,2,0,0,0,0|0,0,1]=3 3479 B20R0.28383 CCCCCCCCCCCC(=O)OCC(=O)C(C)(C)O 1458a_100000242741_100020644155 [0,2,0,0,0,0|0,0,1]=3 3480 B20R0.28383 CCCCCCCCCCCC(=O)OCN(C)C(C)(C)C 269982a_100011215553_100020644155 [0,2,0,0,0,0|1,0,0]=3 3481 B20R0.28383 CCCCCCCCCCNC(=O)NC[C@@H](F)C(C)(C)O 2708a_100000684558_100015379105 [0,2,0,0,0,0|2,0,0]=4 3482 B20R0.28383 CCCCCCCCCCNC(=O)NC[C@@H](F)C(C)(C)O 273464a_100000684558_100015379105 [0,2,0,0,0,0|2,0,0]=4 3483 B20R0.28383 CCCCCCCCCCNC(=O)NC[C@@H](F)C(C)(C)O 512a_100000684558_100015379105 [0,2,0,0,0,0|2,0,0]=4 3484 B20R0.28383 CCCCCCCCCCNC(=O)NC[C@@H](F)C(C)(C)O 512a_100015379105_100000684558 [0,2,0,0,0,0|2,0,0]=4 3485 B20R0.28814 CCCCCCCCC(=O)CCC(=O)OCC[N+](C)(C)C 1458a_100000730269_100000210759 [0,2,0,0,0,0|1,0,1]=4 3486 B20R0.8494 CCCCCCCCCCCC(=O)C(C)CN(C)C(C)C 1458a_100015184680_100011215454 [0,2,0,0,0,0|2,0,0]=4 3487 B20R0.8494 CCCCCCCCCCCC(=O)N(C)CC(=O)C(C)C 1458a_100032006452_100000210206 [0,2,0,0,0,0|1,0,1]=4 3488 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCC(C)C 11a_100000207693_100000210736 [0,2,0,0,0,0|1,0,0]=3 3489 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCC(C)C 1626a_100000207693_100000210736 [0,2,0,0,0,0|1,0,0]=3 3490 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCC(C)C 240690a_100000207693_100000210736 [0,2,0,0,0,0|1,0,0]=3 3491 B20R0.8495 CCCCCCCCCCCC(=O)N(CC)CCN(C)C 240690a_100000225870_100000210736 [0,2,0,0,0,0|2,0,0]=4 3492 B20R0.8495 CCCCCCCCCCNC(=O)N(CC)CCC(C)C 2708a_100000684558_100000207693 [0,2,0,0,0,0|2,0,0]=4 3493 B20R0.8495 CCCCCCCCCCNC(=O)N(CC)CCC(C)C 273464a_100000684558_100000207693 [0,2,0,0,0,0|2,0,0]=4 3494 B20R0.8495 CCN(CCC(C)C)C(=O)CCCCCCCCCCO 240690a_100000207693_200000016029 [0,2,0,0,0,0|2,0,0]=4 3495 B20R0.28384 CC(C)C(CO)CNC(=O)CCCCCCCCCCO 240690a_100000692819_200000016029 [0,2,0,0,0,0|2,0,0]=4 3496 B20R0.28384 CCCCCCCCCCCC(=O)NCC(CC)N(C)C 11a_100000738386_100000210736 [0,2,0,0,0,0|2,0,0]=4 3497 B20R0.28384 CCCCCCCCCCCC(=O)NCC(CC)N(C)C 1626a_100000738386_100000210736 [0,2,0,0,0,0|2,0,0]=4 3498 B20R0.28384 CCCCCCCCCCCC(=O)NCC(CC)N(C)C 240690a_100000738386_100000210736 [0,2,0,0,0,0|2,0,0]=4 3499 B20R0.28384 CCCCCCCCCCCC(=O)NCC(CO)C(C)C 240690a_100000692819_100000210736 [0,2,0,0,0,0|1,0,0]=3 3500 B20R0.28384 CCCCCCCCCCCC(=O)OCN(CC)C(C)C 2230a_100000223864_100020644155 [0,2,0,0,0,0|1,0,0]=3 3501 B20R0.28384 CCCCCCCCCCCC(=O)OCN(CC)C(C)C 269982a_100000223864_100020644155 [0,2,0,0,0,0|1,0,0]=3 3502 B20R0.28384 CCCCCCCCCCNC(=O)NCC(CO)C(C)C 2708a_100000684558_100000692819 [0,2,0,0,0,0|2,0,0]=4 3503 B20R0.28384 CCCCCCCCCCNC(=O)NCC(CO)C(C)C 273464a_100000684558_100000692819 [0,2,0,0,0,0|2,0,0]=4 3504 B20R0.28384 CCCCCCCCCCNC(=O)NCC(CO)C(C)C 273464a_100000692819_100000684558 [0,2,0,0,0,0|2,0,0]=4 3505 B20R0.28384 CCCCCCCCCCNC(=O)NCC(CO)C(C)C 512a_100000684558_100000692819 [0,2,0,0,0,0|2,0,0]=4 3506 B20R0.28384 CCCCCCCCCCNC(=O)NCC(CO)C(C)C 512a_100000692819_100000684558 [0,2,0,0,0,0|2,0,0]=4 3507 B20R0.31942 CCCCCCCCCCN(C)C(=O)NCC(O)C(C)C 273464a_100000759067_100000207566 [0,2,0,0,0,0|2,0,0]=4 3508 B20R0.31984 CCCCCCCCCCCC(=O)NCC(C)(C)N(C)C 1626a_100153394228_100000210736 [0,2,0,0,0,0|2,0,0]=4 3509 B20R0.31984 CCCCCCCCCCCC(=O)NCC(C)(C)N(C)C 240690a_100153394228_100000210736 [0,2,0,0,0,0|2,0,0]=4 3510 B20R0.8641 CCCCCCCCC(C)OC(C)C(=O)NCCC(C)C 34a_100000210740_100000735922 [0,2,0,0,0,0|2,0,0]=4 3511 B20R0.8641 CCCCCCCCC(C)OC(C)C(=O)NCCC(C)C 7a_100000210740_100000735922 [0,2,0,0,0,0|2,0,0]=4 3512 B20R0.16826 CCCCCCC(C)CCOC(C)C(=O)NCCC(C)C 34a_200011024964_100000735922 [0,2,0,0,0,0|2,0,0]=4 3513 B20R0.16826 CCCCCCC(C)CCOC(C)C(=O)NCCC(C)C 7a_200011024964_100000735922 [0,2,0,0,0,0|2,0,0]=4 3514 B20R0.95534 CCCCCCCCCNC(CC)C(=O)NCCC(C)C 2230a_100000212291_200011763481 [0,2,0,0,0,0|2,0,0]=4 3515 B20R0.95534 CCCCCCCCCNC(CC)C(=O)NCCC(C)C 34a_100000212291_200011763481 [0,2,0,0,0,0|2,0,0]=4 3516 B20R0.95534 CCCCCCCCCOC(CC)C(=O)NCCC(C)C 34a_100000210712_200011763481 [0,2,0,0,0,0|2,0,0]=4 3517 B20R0.95534 CCCCCCCCCOC(CC)C(=O)NCCC(C)C 7a_100000210712_200011763481 [0,2,0,0,0,0|2,0,0]=4 3518 B20R0.95534 CCCCCCCCCSC(CC)C(=O)NCCC(C)C 62a_200011763481_100000210670 [0,2,0,0,0,0|2,0,0]=4 3519 B18R1.1145 CCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210319 [1,0,0,1,0,0|2,0,0]=4 3520 B18R1.1145 CCCCCCCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210319 [1,0,0,1,0,0|2,0,0]=4 3521 B18R1.1145 CCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210375 [1,0,0,1,0,0|2,0,0]=4 3522 B18R1.1145 CCCCCCCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210375 [1,0,0,1,0,0|2,0,0]=4 3523 B18R1.1145 CCCCCCCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210375 [1,0,0,1,0,0|2,0,0]=4 3524 B18R1.1145 CCCCCCCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210375 [1,0,0,1,0,0|2,0,0]=4 3525 B18R1.1145 CCCCCCCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210375 [1,0,0,1,0,0|1,0,0]=3 3526 B18R1.1145 CCCCCCCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210375 [1,0,0,1,0,0|1,0,0]=3 3527 B18R1.1145 CCCCCCCCCNC(=O)N1CC[C@H](C1)C 2708a_100000212291_100016987628 [1,0,0,1,0,0|2,0,0]=4 3528 B18R1.1145 CCCCCCCCCNC(=O)N1CC[C@H](C1)C 273464a_100000212291_100016987628 [1,0,0,1,0,0|2,0,0]=4 3529 B18R1.1145 CCCCCCCCOCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000759886 [1,0,0,1,0,0|2,0,0]=4 3530 B18R1.1145 CCCCCCCCOCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000759886 [1,0,0,1,0,0|2,0,0]=4 3531 B18R1.1145 CCCCCCCCOCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000759886 [1,0,0,1,0,0|2,0,0]=4 3532 B18R1.1145 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCF 11a_100016987628_200009909015 [1,0,0,1,0,0|2,0,0]=4 3533 B18R1.1145 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCF 240690a_100016987628_200009909015 [1,0,0,1,0,0|2,0,0]=4 3534 B18R1.1145 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCF 527a_100016987628_200009909015 [1,0,0,1,0,0|2,0,0]=4 3535 B18R1.1145 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCO 240690a_100016987628_100000032657 [1,0,0,1,0,0|2,0,0]=4 3536 B18R1.13568 CCCCCCCCCCC(=O)CCCC1CO1 1458a_100000210375_100000733510 [1,0,0,1,0,0|2,0,0]=4 3537 B18R1.13568 CCCCCCCCCCC(=O)CSCC1CC1 1458a_200011316215_100000210319 [1,0,0,1,0,0|2,0,0]=4 3538 B18R1.13568 CCCCCCCCCCC(=O)NCCC1CC1 1626a_100000764129_100000210375 [1,0,0,1,0,0|1,0,0]=3 3539 B18R1.13568 CCCCCCCCCCC(=O)NCCC1CC1 240690a_100000764129_100000210375 [1,0,0,1,0,0|1,0,0]=3 3540 B18R1.13568 CCCCCCCCCCC(=O)NNCC1CC1 22a_100000736359_100000210375 [1,0,0,1,0,0|2,0,0]=4 3541 B18R1.13568 CCCCCCCCCCC(C)OCCC1CC1 34a_100011215000_100000694398 [1,0,0,1,0,0|1,0,1]=4 3542 B18R1.13568 CCCCCCCCCCC(C)OCCC1CC1 7a_100011215000_100000764125 [1,0,0,1,0,0|1,0,1]=4 3543 B18R1.13568 CCCCCCCCCNC(=O)NCCC1CC1 2708a_100000212291_100000764129 [1,0,0,1,0,0|2,0,0]=4 3544 B18R1.13568 CCCCCCCCCNC(=O)NCCC1CC1 2708a_100000764129_100000212291 [1,0,0,1,0,0|2,0,0]=4 3545 B18R1.13568 CCCCCCCCCNC(=O)NCCC1CC1 273464a_100000212291_100000764129 [1,0,0,1,0,0|2,0,0]=4 3546 B18R1.13568 CCCCCCCCCNC(=O)NCCC1CC1 273464a_100000764129_100000212291 [1,0,0,1,0,0|2,0,0]=4 3547 B18R1.13568 CCCCCCCCCNC(=O)NCCC1CC1 512a_100000212291_100000764129 [1,0,0,1,0,0|2,0,0]=4 3548 B18R1.13568 CCCCCCCCCNC(=O)NCCC1CC1 512a_100000764129_100000212291 [1,0,0,1,0,0|2,0,0]=4 3549 B18R1.13568 CCCCCCCCOCC(=O)NCCC1CC1 1626a_100000764129_100000759886 [1,0,0,1,0,0|2,0,0]=4 3550 B18R1.13568 CCCCCCCCOCC(=O)NCCC1CC1 240690a_100000764129_100000759886 [1,0,0,1,0,0|2,0,0]=4 3551 B18R1.13568 CCCCCCCCOCC(=O)NCCC1CC1 527a_100000764129_100000759886 [1,0,0,1,0,0|2,0,0]=4 3552 B18R1.13568 O=C(CCCCCCCCCF)NCCC1CC1 240690a_100000764129_200009909015 [1,0,0,1,0,0|2,0,0]=4 3553 B18R1.13568 O=C(CCCCCCCCCF)NCCC1CC1 527a_100000764129_200009909015 [1,0,0,1,0,0|2,0,0]=4 3554 B18R1.13568 O=C(CCCCCCCCCO)NCCC1CC1 240690a_100000764129_100000032657 [1,0,0,1,0,0|2,0,0]=4 3555 B18R1.17255 CC(C)CNC1CCCCCCCCCCC1=O 2230a_100000210953_200009990614 [1,0,0,1,0,0|2,0,0]=4 3556 B18R1.17255 CC(C)CNC1CCCCCCCCCCC1=O 34a_100000210953_200009990614 [1,0,0,1,0,0|2,0,0]=4 3557 B18R1.17255 CC(C)COC1CCCCCCCCCCC1=O 34a_100000210257_200009990614 [1,0,0,1,0,0|2,0,0]=4 3558 B18R1.17255 CC(C)CSC1CCCCCCCCCCC1=O 62a_100000210624_200009990614 [1,0,0,1,0,0|2,0,0]=4 3559 B18R1.17255 CC(C)CSC1CCCCCCCCCCC1=O 62a_200009990614_100000210760 [1,0,0,1,0,0|2,0,0]=4 3560 B18R1.21046 CC(C)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100011214892 [1,0,0,1,0,0|1,0,0]=3 3561 B18R1.21046 CC(C)CCCC(=O)CCCCN1CCCCC1 1458a_100000754417_100011214892 [1,0,0,1,0,0|2,0,0]=4 3562 B18R1.21046 CC(C)CCCC(=O)NCCCC1CCCCC1 11a_100011211642_100011216857 [1,0,0,1,0,0|2,0,0]=4 3563 B18R1.21046 CC(C)CCCC(=O)NCCCC1CCCCC1 1626a_100011211642_100011216857 [1,0,0,1,0,0|2,0,0]=4 3564 B18R1.21046 CC(C)CCCC(=O)NCCCC1CCCCC1 240690a_100011211642_100011216857 [1,0,0,1,0,0|2,0,0]=4 3565 B18R1.21046 CC(C)CCCC(=O)NCCCC1CCCCC1 527a_100011211642_100011216857 [1,0,0,1,0,0|2,0,0]=4 3566 B18R1.21046 CC(C)CCNC(=O)CCCCC1CCCCC1 11a_100000210545_200011215547 [1,0,0,1,0,0|1,0,0]=3 3567 B18R1.21046 CC(C)CCNC(=O)CCCCC1CCCCC1 1626a_100000210545_200011215547 [1,0,0,1,0,0|1,0,0]=3 3568 B18R1.21046 CC(C)CCNC(=O)CCCCC1CCCCC1 240690a_100000210545_200011215547 [1,0,0,1,0,0|1,0,0]=3 3569 B18R1.21046 CC(C)CCNC(=O)CCCCC1CCCCC1 527a_100000210545_200011215547 [1,0,0,1,0,0|1,0,0]=3 3570 B18R1.21046 CC(C)CCNC(=O)CCCCN1CCCCC1 11a_100000210545_100000754417 [1,0,0,1,0,0|2,0,0]=4 3571 B18R1.21046 CC(C)CCNC(=O)CCCCN1CCCCC1 240690a_100000210545_100000754417 [1,0,0,1,0,0|2,0,0]=4 3572 B18R1.21046 CC(C)CCNC(=O)NCCCC1CCCCC1 2708a_100000210545_100011211642 [1,0,0,1,0,0|2,0,0]=4 3573 B18R1.21046 CC(C)CCNC(=O)NCCCC1CCCCC1 2708a_100011211642_100000210545 [1,0,0,1,0,0|2,0,0]=4 3574 B18R1.21046 CC(C)CCNC(=O)NCCCC1CCCCC1 273464a_100000210545_100011211642 [1,0,0,1,0,0|2,0,0]=4 3575 B18R1.21046 CC(C)CCNC(=O)NCCCC1CCCCC1 273464a_100011211642_100000210545 [1,0,0,1,0,0|2,0,0]=4 3576 B18R1.21046 CC(C)CCNC(=O)NCCCC1CCCCC1 512a_100000210545_100011211642 [1,0,0,1,0,0|2,0,0]=4 3577 B18R1.21046 CC(C)CCNC(=O)NCCCC1CCCCC1 512a_100011211642_100000210545 [1,0,0,1,0,0|2,0,0]=4 3578 B18R1.21046 CC(C)CNNC(=O)CCCCC1CCCCC1 22a_100000696102_200011215547 [1,0,0,1,0,0|2,0,0]=4 3579 B18R1.21046 CC(C)OCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000211751 [1,0,0,1,0,0|2,0,0]=4 3580 B18R1.21046 CC(C)SCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000730970 [1,0,0,1,0,0|2,0,0]=4 3581 B18R1.21046 CC(O)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_200000718107 [1,0,0,1,0,0|2,0,0]=4 3582 B18R1.21046 CC(O)CCNC(=O)CCCCC1CCCCC1 240690a_200000755665_200011215547 [1,0,0,1,0,0|2,0,0]=4 3583 B18R1.21046 CC(O)CCNC(=O)CCCCC1CCCCC1 527a_200000755665_200011215547 [1,0,0,1,0,0|2,0,0]=4 3584 B18R1.21046 CN(C)CCCC(=O)CCCCC1CCCCC1 1458a_200011215547_100000695564 [1,0,0,1,0,0|2,0,0]=4 3585 B18R1.21046 CN(C)CCNC(=O)CCCCC1CCCCC1 240690a_100000210585_200011215547 [1,0,0,1,0,0|2,0,0]=4 3586 B18R1.21046 CN(C)CCNC(=O)CCCCC1CCCCC1 527a_100000210585_200011215547 [1,0,0,1,0,0|2,0,0]=4 3587 B18R1.21165 CC(C)CCOC1CCCCCCCCCCC1 34a_100000211378_100000210312 [1,0,0,1,0,0|1,0,1]=4 3588 B18R1.21165 CC(C)CCOC1CCCCCCCCCCC1 7a_100000211378_100000210626 [1,0,0,1,0,0|1,0,1]=4 3589 B18R1.36736 CCCCCCCCCCC(=O)NC1CC(C1)F 11a_100016993743_100000210375 [1,0,0,1,0,0|2,0,0]=4 3590 B18R1.36736 CCCCCCCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000210375 [1,0,0,1,0,0|2,0,0]=4 3591 B18R1.36736 CCCCCCCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000210375 [1,0,0,1,0,0|2,0,0]=4 3592 B18R1.36736 CCCCCCCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100000210375 [1,0,0,1,0,0|2,0,0]=4 3593 B18R1.36736 CCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210375 [1,0,0,1,0,0|2,0,0]=4 3594 B18R1.36736 CCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210375 [1,0,0,1,0,0|2,0,0]=4 3595 B18R1.36736 CCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210375 [1,0,0,1,0,0|2,0,0]=4 3596 B18R1.174478 CC(C)CCCC(=O)CCN1CCCCCCC1 1458a_200015187237_100011214892 [1,0,0,1,0,0|2,0,0]=4 3597 B18R1.174478 CC(C)CCNC(=O)CCN1CCCCCCC1 240690a_100000210545_200015187237 [1,0,0,1,0,0|2,0,0]=4 3598 B18R1.263298 CC(C)CCCC(=O)NCCC1CCCCCC1 11a_100011532351_100011216857 [1,0,0,1,0,0|2,0,0]=4 3599 B18R1.263298 CC(C)CCCC(=O)NCCC1CCCCCC1 1626a_100011532351_100011216857 [1,0,0,1,0,0|2,0,0]=4 3600 B18R1.263298 CC(C)CCCC(=O)NCCC1CCCCCC1 240690a_100011532351_100011216857 [1,0,0,1,0,0|2,0,0]=4 3601 B18R1.263298 CC(C)CCCC(=O)NCCC1CCCCCC1 527a_100011532351_100011216857 [1,0,0,1,0,0|2,0,0]=4 3602 B18R1.263298 CC(C)CCNC(=O)NCCC1CCCCCC1 2708a_100000210545_100011532351 [1,0,0,1,0,0|2,0,0]=4 3603 B18R1.263298 CC(C)CCNC(=O)NCCC1CCCCCC1 2708a_100011532351_100000210545 [1,0,0,1,0,0|2,0,0]=4 3604 B18R1.263298 CC(C)CCNC(=O)NCCC1CCCCCC1 273464a_100000210545_100011532351 [1,0,0,1,0,0|2,0,0]=4 3605 B18R1.263298 CC(C)CCNC(=O)NCCC1CCCCCC1 273464a_100011532351_100000210545 [1,0,0,1,0,0|2,0,0]=4 3606 B18R1.263298 CC(C)CCNC(=O)NCCC1CCCCCC1 512a_100000210545_100011532351 [1,0,0,1,0,0|2,0,0]=4 3607 B18R1.372 CCCCCCC1CCCC1NCCCC(C)C 269862a_200000737386_100000189428 [1,0,0,1,0,0|2,0,0]=4 3608 B18R1.372 CCCCCCC1CCCC1NCCCC(C)C 270004a_200000737386_100000189428 [1,0,0,1,0,0|2,0,0]=4 3609 B18R1.1108 CCCCCCCCCCCN1CCC[C@@H](C1)C 2230a_100000717927_100011215454 [1,0,0,1,0,0|2,0,0]=4 3610 B18R1.1108 CCCCCCCCCCCN1CCC[C@@H](C1)C 269982a_100000717927_100011215454 [1,0,0,1,0,0|2,0,0]=4 3611 B18R1.1108 CCCCCCCCCCCN1CCC[C@@H](C1)C 34a_100000717927_100011215454 [1,0,0,1,0,0|2,0,0]=4 3612 B18R1.1260 CCCCCCCCCCCCN1CC[C@H](C1)C 2230a_100016987628_100011215052 [1,0,0,1,0,0|1,0,1]=4 3613 B18R1.1260 CCCCCCCCCCCCN1CC[C@H](C1)C 269982a_100016987628_100000759014 [1,0,0,1,0,0|1,0,1]=4 3614 B18R1.1260 CCCCCCCCCCCCN1CC[C@H](C1)C 270004a_100016987628_100011218549 [1,0,0,1,0,0|1,0,1]=4 3615 B18R1.1260 CCCCCCCCCCCCN1CC[C@H](C1)C 34a_100016987628_100000759014 [1,0,0,1,0,0|1,0,1]=4 3616 B18R1.1260 CCCCCCCCCCCNC1CCC(C1)C 270004a_200011215754_100011215218 [1,0,0,1,0,0|2,0,0]=4 3617 B18R1.1260 CCCCCCCCCCCOC1CCC(C1)C 34a_100000698185_100011215454 [1,0,0,1,0,0|2,0,0]=4 3618 B18R1.4136 CCCCCCCC1CCCC1NCCC(C)C 269862a_100000210545_200011216720 [1,0,0,1,0,0|1,0,1]=4 3619 B18R1.4136 CCCCCCCC1CCCC1NCCC(C)C 270004a_100000210545_200011216720 [1,0,0,1,0,0|1,0,1]=4 3620 B18R1.5428 CC1CC1COCCCCCCCCCCCO 34a_100000744939_100009812471 [1,0,0,1,0,0|1,0,1]=4 3621 B18R1.5428 CC1CC1COCCCCCCCCCCCO 7a_100000744939_100009812471 [1,0,0,1,0,0|1,0,1]=4 3622 B18R1.5428 CCCCCCCCCCCCOCC1CC1C 34a_100000744939_100000759014 [1,0,0,1,0,0|0,0,1]=3 3623 B18R1.5428 CCCCCCCCCCCCOCC1CC1C 7a_100000744939_100000759014 [1,0,0,1,0,0|0,0,1]=3 3624 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(C)C 2230a_100025712635_100011214924 [1,0,0,1,0,0|1,0,1]=4 3625 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(C)C 269982a_100025712635_100000210670 [1,0,0,1,0,0|1,0,1]=4 3626 B18R1.5438 CCCCCCCCCN1CCOC[C@@H]1C(C)C 34a_100025712635_100011214924 [1,0,0,1,0,0|1,0,1]=4 3627 B18R1.13035 BrCCCCCCCCCCCOCCC1CC1 34a_100009812471_100000694398 [1,0,0,1,0,0|1,0,1]=4 3628 B18R1.13035 BrCCCCCCCCCCCOCCC1CC1 7a_100009812471_100000764125 [1,0,0,1,0,0|1,0,1]=4 3629 B18R1.13035 CCCCCCCCCCCC=NNCC1CC1 4a_100000736359_100011218549 [1,0,0,1,0,0|2,0,0]=4 3630 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 2230a_100000210451_100000694398 [1,0,0,1,0,0|1,0,1]=4 3631 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 270004a_100000764129_100011218549 [1,0,0,1,0,0|1,0,1]=4 3632 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 34a_100000210451_100000694398 [1,0,0,1,0,0|1,0,1]=4 3633 B18R1.13035 CCCCCCCCCCCCNCCC1CC1 34a_100000764129_100000759014 [1,0,0,1,0,0|1,0,1]=4 3634 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 34a_100000210810_100000694398 [1,0,0,1,0,0|0,0,1]=3 3635 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 34a_100000754188_100000759014 [1,0,0,1,0,0|0,0,1]=3 3636 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 7a_100000210810_100000764125 [1,0,0,1,0,0|0,0,1]=3 3637 B18R1.13035 CCCCCCCCCCCCOCCC1CC1 7a_100000754188_100000759014 [1,0,0,1,0,0|0,0,1]=3 3638 B18R1.13035 CCCCCCCCCCCCOCCC1CO1 34a_100000210810_100000732470 [1,0,0,1,0,0|1,0,1]=4 3639 B18R1.13035 CCCCCCCCCCCCOCCC1CO1 7a_100000210810_100000732470 [1,0,0,1,0,0|1,0,1]=4 3640 B18R1.13035 CCCCCCCCCCCCOCC[C@@H]1CO1 34a_100009820653_100000759014 [1,0,0,1,0,0|1,0,1]=4 3641 B18R1.13035 CCOCCCCCCCCCOCCC1CC1 34a_100009875440_100000694398 [1,0,0,1,0,0|1,0,1]=4 3642 B18R1.13035 CCOCCCCCCCCCOCCC1CC1 7a_100009875440_100000764125 [1,0,0,1,0,0|1,0,1]=4 3643 B18R1.13035 OCCCCCCCCCCCOCCC1CC1 34a_100000754188_100009812471 [1,0,0,1,0,0|1,0,1]=4 3644 B18R1.13035 OCCCCCCCCCCCOCCC1CC1 7a_100000754188_100009812471 [1,0,0,1,0,0|1,0,1]=4 3645 B18R1.35001 CCCCCCCCCCCN1CCCC1(C)C 2230a_100000761399_100011215454 [1,0,0,1,0,0|2,0,0]=4 3646 B18R1.35001 CCCCCCCCCCCN1CCCC1(C)C 269982a_100000761399_100011215454 [1,0,0,1,0,0|2,0,0]=4 3647 B18R1.35001 CCCCCCCCCCCN1CCCC1(C)C 34a_100000761399_100011215454 [1,0,0,1,0,0|2,0,0]=4 3648 B18R1.252901 CCCCCCCCCCCOCC1CC1(C)C 34a_100000728257_100011215454 [1,0,0,1,0,0|2,0,0]=4 3649 B18R1.252901 CCCCCCCCCCCOCC1CC1(C)C 7a_100000728257_100011215454 [1,0,0,1,0,0|2,0,0]=4 3650 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 2230a_100000212291_100000735217 [1,0,0,1,0,0|2,0,0]=4 3651 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 2230a_100000698827_100011214924 [1,0,0,1,0,0|2,0,0]=4 3652 B18R1.1280 CCCCCCCCCNC1CCCCNC1=O 34a_100000698827_100011214924 [1,0,0,1,0,0|2,0,0]=4 3653 B18R1.1280 CCCCCCCCCOC1CCCCCC1=O 7a_100000210712_100000243696 [1,0,0,1,0,0|2,0,0]=4 3654 B18R1.1280 CCCCCCCCCOC1CCCCNC1=O 7a_100000210712_100000735217 [1,0,0,1,0,0|2,0,0]=4 3655 B18R1.1280 CCCCCCCCCSC1CCCCCC1=O 62a_100000243696_100000210670 [1,0,0,1,0,0|2,0,0]=4 3656 B18R1.1280 CCCCCCCCCSC1CCCCNC1=O 62a_100000735217_100000210670 [1,0,0,1,0,0|2,0,0]=4 3657 B18R1.1327 CCCCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100011215454 [1,0,0,1,0,0|1,0,1]=4 3658 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011215454 [1,0,0,1,0,0|1,0,0]=3 3659 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210736_100000179811 [1,0,0,1,0,0|1,0,0]=3 3660 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100011215454 [1,0,0,1,0,0|2,0,0]=4 3661 B18R1.1327 CCCCCCCCCCCC(=O)C1CCOC1 1458a_100000210736_100000690089 [1,0,0,1,0,0|2,0,0]=4 3662 B18R1.1327 CCCCCCCCCCCC(=O)C1CCOC1 1458a_100011219752_100011215454 [1,0,0,1,0,0|2,0,0]=4 3663 B18R1.1327 CCCCCCCCCCCC(=O)N1CCCC1 240690a_100000188435_100000210736 [1,0,0,1,0,0|1,0,0]=3 3664 B18R1.1327 CCCCCCCCCCCC(=O)N1CCSC1 11a_100011215254_100000210736 [1,0,0,1,0,0|2,0,0]=4 3665 B18R1.1327 CCCCCCCCCCCC(=O)N1CCSC1 240690a_100011215254_100000210736 [1,0,0,1,0,0|2,0,0]=4 3666 B18R1.1327 CCCCCCCCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215454 [1,0,0,1,0,0|2,0,0]=4 3667 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 11a_100000684558_100000210718 [1,0,0,1,0,0|2,0,0]=4 3668 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 1626a_100000684558_100000210718 [1,0,0,1,0,0|2,0,0]=4 3669 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 240690a_100000684558_100000210718 [1,0,0,1,0,0|2,0,0]=4 3670 B18R1.1327 CCCCCCCCCCNC(=O)C1CCCC1 527a_100000684558_100000210718 [1,0,0,1,0,0|2,0,0]=4 3671 B18R1.1327 CCCCCCCCCCNC(=O)N1CCCC1 2708a_100000684558_100000188435 [1,0,0,1,0,0|2,0,0]=4 3672 B18R1.1327 CCCCCCCCCCNC(=O)N1CCCC1 273464a_100000684558_100000188435 [1,0,0,1,0,0|2,0,0]=4 3673 B18R1.1327 CCCCCCCCCNCC(=O)N1CCCC1 2230a_100000212291_100000183516 [1,0,0,1,0,0|2,0,0]=4 3674 B18R1.1327 CCCCCCCCCNCC(=O)N1CCCC1 2230a_100000751844_100011214924 [1,0,0,1,0,0|2,0,0]=4 3675 B18R1.1327 CCCCCCCCCNCC(=O)N1CCCC1 34a_100000212291_100000183516 [1,0,0,1,0,0|2,0,0]=4 3676 B18R1.1327 CCCCCCCCCOCC(=O)N1CCCC1 34a_100000210712_100000183516 [1,0,0,1,0,0|2,0,0]=4 3677 B18R1.1327 CCCCCCCCCOCC(=O)N1CCCC1 7a_100000210712_100000183516 [1,0,0,1,0,0|2,0,0]=4 3678 B18R1.1327 CCCCCCCCCOCC(=O)N1CCCC1 7a_200000752455_100000210328 [1,0,0,1,0,0|2,0,0]=4 3679 B18R1.1327 CCCCCCCCCSCC(=O)N1CCCC1 62a_100000183516_100000210670 [1,0,0,1,0,0|2,0,0]=4 3680 B18R1.1327 CCCCCCCCNCCC(=O)N1CCCC1 2230a_100000229939_100011194422 [1,0,0,1,0,0|2,0,0]=4 3681 B18R1.1327 CCCCCCCCNCCC(=O)N1CCCC1 34a_100000229939_100011194422 [1,0,0,1,0,0|2,0,0]=4 3682 B18R1.1327 CCCCCCCCOCCC(=O)N1CCCC1 34a_100000210232_100011194422 [1,0,0,1,0,0|2,0,0]=4 3683 B18R1.1327 CCCCCCCCOCCC(=O)N1CCCC1 7a_100000210232_100011194422 [1,0,0,1,0,0|2,0,0]=4 3684 B18R1.1327 CCCCCCCCSCCC(=O)N1CCCC1 62a_100000210759_100011194422 [1,0,0,1,0,0|2,0,0]=4 3685 B18R1.1327 CCCCCCCCSCCC(=O)N1CCCC1 62a_100011194422_100000210317 [1,0,0,1,0,0|2,0,0]=4 3686 B18R1.1327 O=C(CCCCCCCCCCO)C1CCCC1 1458a_100000210718_100009813290 [1,0,0,1,0,0|2,0,0]=4 3687 B18R1.1327 O=C(CCCCCCCCCCO)N1CCCC1 240690a_100000188435_200000016029 [1,0,0,1,0,0|2,0,0]=4 3688 B18R1.1687 CCCCOC(=O)CNCCN1CCCCC1C 2230a_100000739827_100000211628 [1,0,0,1,0,0|2,0,0]=4 3689 B18R1.1687 CCCCOC(=O)CNCCN1CCCCC1C 34a_100000739827_100000211628 [1,0,0,1,0,0|2,0,0]=4 3690 B18R1.1687 CCCCOC(=O)COCCN1CCCCC1C 34a_100011305533_100000211628 [1,0,0,1,0,0|2,0,0]=4 3691 B18R1.1687 CCCCOC(=O)CSCCC1CCCCN1C 62a_100000211628_100000211948 [1,0,0,1,0,0|2,0,0]=4 3692 B18R1.1687 CCCCOC(=O)CSCCC1CCCCN1C 62a_100000211948_100000211628 [1,0,0,1,0,0|2,0,0]=4 3693 B18R1.1731 CCCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210326 [1,0,0,1,0,0|2,0,0]=4 3694 B18R1.1731 CCCCCC(=O)CNCCCC1CCCCC1 2230a_100011211642_200012276598 [1,0,0,1,0,0|2,0,0]=4 3695 B18R1.1731 CCCCCC(=O)CNCCCC1CCCCC1 34a_100011211642_200012276598 [1,0,0,1,0,0|2,0,0]=4 3696 B18R1.1731 CCCCCC(=O)COCCCC1CCCCC1 34a_100000198086_200012276598 [1,0,0,1,0,0|2,0,0]=4 3697 B18R1.1731 CCCCCC(=O)COCCCC1CCCCC1 7a_100000198086_200012276598 [1,0,0,1,0,0|2,0,0]=4 3698 B18R1.1731 CCCCCC(=O)CSCCCC1CCCCC1 62a_100011713725_200012276598 [1,0,0,1,0,0|2,0,0]=4 3699 B18R1.1731 CCCCCC(=O)CSCCCC1CCCCC1 62a_200012276598_100011713725 [1,0,0,1,0,0|2,0,0]=4 3700 B18R1.1731 CCCCNC(=O)CCCCCN1CCCCC1 11a_100000102301_100012051570 [1,0,0,1,0,0|2,0,0]=4 3701 B18R1.1731 CCCCNC(=O)CCCCCN1CCCCC1 240690a_100000102301_100012051570 [1,0,0,1,0,0|2,0,0]=4 3702 B18R1.1731 CCCCNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000182744 [1,0,0,1,0,0|2,0,0]=4 3703 B18R1.1731 CCCCNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000182744 [1,0,0,1,0,0|2,0,0]=4 3704 B18R1.1731 CCCCNC(=O)COCCCC1CCCCC1 34a_100000198086_100000182744 [1,0,0,1,0,0|2,0,0]=4 3705 B18R1.1731 CCCCNC(=O)COCCCC1CCCCC1 7a_100000198086_100000182744 [1,0,0,1,0,0|2,0,0]=4 3706 B18R1.1731 CCCCNC(=O)CSCCCC1CCCCC1 62a_100000182744_100011713725 [1,0,0,1,0,0|2,0,0]=4 3707 B18R1.1731 CCCCNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000182744 [1,0,0,1,0,0|2,0,0]=4 3708 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000211628 [1,0,0,1,0,0|1,0,0]=3 3709 B18R1.1731 CCCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_100000211628 [1,0,0,1,0,0|1,0,0]=3 3710 B18R1.1731 CCCCOC(=O)CNCCOC1CCCCC1 34a_100015206981_100000211628 [1,0,0,1,0,0|2,0,0]=4 3711 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 34a_100000198086_100000211628 [1,0,0,1,0,0|1,0,0]=3 3712 B18R1.1731 CCCCOC(=O)COCCCC1CCCCC1 7a_100000198086_100000211628 [1,0,0,1,0,0|1,0,0]=3 3713 B18R1.1731 CCCCOC(=O)COCCCC1CCCCN1 34a_100011934581_100000211628 [1,0,0,1,0,0|2,0,0]=4 3714 B18R1.1731 CCCCOC(=O)COCCCC1CCCNC1 34a_100150707839_100000211628 [1,0,0,1,0,0|2,0,0]=4 3715 B18R1.1731 CCCCOC(=O)COCCCC1CCNCC1 34a_100016988962_100000211628 [1,0,0,1,0,0|2,0,0]=4 3716 B18R1.1731 CCCCOC(=O)COCCCN1CCCCC1 34a_100000212458_100000211628 [1,0,0,1,0,0|2,0,0]=4 3717 B18R1.1731 CCCCOC(=O)COCCNC1CCCCC1 34a_100000200466_100000211628 [1,0,0,1,0,0|2,0,0]=4 3718 B18R1.1731 CCCCOC(=O)COCCOC1CCCCC1 34a_100011249652_100000211628 [1,0,0,1,0,0|2,0,0]=4 3719 B18R1.1731 CCCCOC(=O)COCCOC1CCCCC1 7a_100011249652_100000211628 [1,0,0,1,0,0|2,0,0]=4 3720 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100000211628_100011713725 [1,0,0,1,0,0|1,0,0]=3 3721 B18R1.1731 CCCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_100000211628 [1,0,0,1,0,0|1,0,0]=3 3722 B18R1.1731 CCCCOC(=O)CSCCCN1CCCCC1 62a_100000211628_100000007876 [1,0,0,1,0,0|2,0,0]=4 3723 B18R1.1731 CCCCOC(=O)CSCCCN1CCCCC1 62a_100132302099_100000211628 [1,0,0,1,0,0|2,0,0]=4 3724 B18R1.1731 CCCCOC(=O)CSCCOC1CCCCC1 62a_100000211628_100011211530 [1,0,0,1,0,0|2,0,0]=4 3725 B18R1.1731 CCCCOC(=O)CSCCOC1CCCCC1 62a_100011211530_100000211628 [1,0,0,1,0,0|2,0,0]=4 3726 B18R1.1731 COCCOC(=O)CNCCCC1CCCCC1 2230a_100011211642_200000040189 [1,0,0,1,0,0|2,0,0]=4 3727 B18R1.1731 COCCOC(=O)CNCCCC1CCCCC1 34a_100011211642_200000040189 [1,0,0,1,0,0|2,0,0]=4 3728 B18R1.1731 COCCOC(=O)COCCCC1CCCCC1 34a_100000198086_200000040189 [1,0,0,1,0,0|2,0,0]=4 3729 B18R1.1731 COCCOC(=O)COCCCC1CCCCC1 7a_100000198086_200000040189 [1,0,0,1,0,0|2,0,0]=4 3730 B18R1.1731 COCCOC(=O)CSCCCC1CCCCC1 62a_100011713725_200000040189 [1,0,0,1,0,0|2,0,0]=4 3731 B18R1.1731 COCCOC(=O)CSCCCC1CCCCC1 62a_200000040189_100011713725 [1,0,0,1,0,0|2,0,0]=4 3732 B18R1.1748 CCCCOC(=O)CNCC1CCCCN1CC 2230a_100000754393_100000211628 [1,0,0,1,0,0|2,0,0]=4 3733 B18R1.1748 CCCCOC(=O)CNCC1CCCCN1CC 34a_100000754393_100000211628 [1,0,0,1,0,0|2,0,0]=4 3734 B18R1.1748 CCCCOC(=O)COCC1CCCCN1CC 34a_100000225091_100000211628 [1,0,0,1,0,0|2,0,0]=4 3735 B18R1.1748 CCCCOC(=O)COCC1CCCCN1CC 7a_100000225091_100000211628 [1,0,0,1,0,0|2,0,0]=4 3736 B18R1.1749 CCCCOC(=O)CNCCCOC1CCCC1 34a_100000747560_100000211628 [1,0,0,1,0,0|2,0,0]=4 3737 B18R1.2620 CCCC1CCCCC1OCC(=O)OCCOC 34a_100011217265_200000040189 [1,0,0,1,0,0|2,0,0]=4 3738 B18R1.2620 CCCC1CCCCC1OCC(=O)OCCOC 7a_100011217265_200000040189 [1,0,0,1,0,0|2,0,0]=4 3739 B18R1.2620 CCCCCC(=O)COC1CCCCC1CCC 34a_100011217265_200012276598 [1,0,0,1,0,0|2,0,0]=4 3740 B18R1.2620 CCCCCC(=O)COC1CCCCC1CCC 7a_100011217265_200012276598 [1,0,0,1,0,0|2,0,0]=4 3741 B18R1.2620 CCCCNC(=O)COC1CCCCC1CCC 34a_100011217265_100000182744 [1,0,0,1,0,0|2,0,0]=4 3742 B18R1.2620 CCCCNC(=O)COC1CCCCC1CCC 7a_100011217265_100000182744 [1,0,0,1,0,0|2,0,0]=4 3743 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 34a_100011217265_100000211628 [1,0,0,1,0,0|1,0,0]=3 3744 B18R1.2620 CCCCOC(=O)COC1CCCCC1CCC 7a_100011217265_100000211628 [1,0,0,1,0,0|1,0,0]=3 3745 B18R1.2678 CCCCCC(=O)CNCCC1CCCCCC1 2230a_100011532351_200012276598 [1,0,0,1,0,0|2,0,0]=4 3746 B18R1.2678 CCCCCC(=O)CNCCC1CCCCCC1 34a_100011532351_200012276598 [1,0,0,1,0,0|2,0,0]=4 3747 B18R1.2678 CCCCNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000182744 [1,0,0,1,0,0|2,0,0]=4 3748 B18R1.2678 CCCCNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000182744 [1,0,0,1,0,0|2,0,0]=4 3749 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000211628 [1,0,0,1,0,0|1,0,0]=3 3750 B18R1.2678 CCCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_100000211628 [1,0,0,1,0,0|1,0,0]=3 3751 B18R1.2678 CCCCOC(=O)COCCN1CCCCCC1 34a_100000238007_100000211628 [1,0,0,1,0,0|2,0,0]=4 3752 B18R1.2678 CCCCOC(=O)CSCCN1CCCCCC1 62a_100000211628_100000722644 [1,0,0,1,0,0|2,0,0]=4 3753 B18R1.2678 CCCCOC(=O)CSCCN1CCCCCC1 62a_100000722644_100000211628 [1,0,0,1,0,0|2,0,0]=4 3754 B18R1.2678 COCCOC(=O)CNCCC1CCCCCC1 2230a_100011532351_200000040189 [1,0,0,1,0,0|2,0,0]=4 3755 B18R1.2678 COCCOC(=O)CNCCC1CCCCCC1 34a_100011532351_200000040189 [1,0,0,1,0,0|2,0,0]=4 3756 B18R1.3010 CCCCCC(=O)COCC1CCCCCCC1 34a_100011216312_200012276598 [1,0,0,1,0,0|2,0,0]=4 3757 B18R1.3010 CCCCCC(=O)COCC1CCCCCCC1 7a_100011216312_200012276598 [1,0,0,1,0,0|2,0,0]=4 3758 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000212188 [1,0,0,1,0,0|2,0,0]=4 3759 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000212188 [1,0,0,1,0,0|2,0,0]=4 3760 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000212188 [1,0,0,1,0,0|2,0,0]=4 3761 B18R1.3010 CCCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000212188 [1,0,0,1,0,0|2,0,0]=4 3762 B18R1.3010 CCCCNC(=O)COCC1CCCCCCC1 34a_100011216312_100000182744 [1,0,0,1,0,0|2,0,0]=4 3763 B18R1.3010 CCCCNC(=O)COCC1CCCCCCC1 7a_100011216312_100000182744 [1,0,0,1,0,0|2,0,0]=4 3764 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 2708a_100000102301_100011532352 [1,0,0,1,0,0|2,0,0]=4 3765 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000102301 [1,0,0,1,0,0|2,0,0]=4 3766 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 273464a_100000102301_100011532352 [1,0,0,1,0,0|2,0,0]=4 3767 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000102301 [1,0,0,1,0,0|2,0,0]=4 3768 B18R1.3010 CCCCNC(=O)NCCC1CCCCCCC1 512a_100000102301_100011532352 [1,0,0,1,0,0|2,0,0]=4 3769 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 34a_100011216312_100000211628 [1,0,0,1,0,0|1,0,0]=3 3770 B18R1.3010 CCCCOC(=O)COCC1CCCCCCC1 7a_100011216312_100000211628 [1,0,0,1,0,0|1,0,0]=3 3771 B18R1.3010 COCCOC(=O)COCC1CCCCCCC1 34a_100011216312_200000040189 [1,0,0,1,0,0|2,0,0]=4 3772 B18R1.3010 COCCOC(=O)COCC1CCCCCCC1 7a_100011216312_200000040189 [1,0,0,1,0,0|2,0,0]=4 3773 B18R1.3011 CCCCOC(=O)COCC1CCCN1CCC 34a_200000694710_100000211628 [1,0,0,1,0,0|2,0,0]=4 3774 B18R1.3011 CCCCOC(=O)COCC1CCCN1CCC 7a_200000694710_100000211628 [1,0,0,1,0,0|2,0,0]=4 3775 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 2230a_100011934581_100000211628 [1,0,0,1,0,0|2,0,0]=4 3776 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 269982a_100011934581_100000211628 [1,0,0,1,0,0|2,0,0]=4 3777 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCCO 34a_100011934581_100000211628 [1,0,0,1,0,0|2,0,0]=4 3778 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 2230a_100015186528_100000211628 [1,0,0,1,0,0|2,0,0]=4 3779 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 269982a_100015186528_100000211628 [1,0,0,1,0,0|2,0,0]=4 3780 B18R1.10161 CCCCOC(=O)CN1CCCCC1CCOC 34a_100015186528_100000211628 [1,0,0,1,0,0|2,0,0]=4 3781 B18R1.41511 CCC1CC1C(=O)CCCCCCCCCCO 1458a_200011661523_100009813290 [1,0,0,1,0,0|2,0,0]=4 3782 B18R1.41511 CCCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011215454 [1,0,0,1,0,0|1,0,0]=3 3783 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 11a_100000684558_200011661523 [1,0,0,1,0,0|2,0,0]=4 3784 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 1626a_100000684558_200011661523 [1,0,0,1,0,0|2,0,0]=4 3785 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 240690a_100000684558_200011661523 [1,0,0,1,0,0|2,0,0]=4 3786 B18R1.41511 CCCCCCCCCCNC(=O)C1CC1CC 527a_100000684558_200011661523 [1,0,0,1,0,0|2,0,0]=4 3787 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210736 [1,0,0,1,0,0|2,0,0]=4 3788 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210736 [1,0,0,1,0,0|2,0,0]=4 3789 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210736 [1,0,0,1,0,0|2,0,0]=4 3790 B18R1.41512 CCCCCCCCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210736 [1,0,0,1,0,0|2,0,0]=4 3791 B18R1.41513 CCCCCCCCCCCC(=O)C=C1CCC1 1458a_100000686340_100011215454 [1,0,0,1,0,0|1,0,1]=4 3792 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000210736_100000763275 [1,0,0,1,0,0|1,0,0]=3 3793 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011215454 [1,0,0,1,0,0|1,0,0]=3 3794 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCO1 1458a_100000210736_100000103362 [1,0,0,1,0,0|2,0,0]=4 3795 B18R1.41513 CCCCCCCCCCCC(=O)CC1COC1 1458a_100000210736_100010264016 [1,0,0,1,0,0|2,0,0]=4 3796 B18R1.41513 CCCCCCCCCCCC(=O)CC1COC1 1458a_100000687760_100011215454 [1,0,0,1,0,0|2,0,0]=4 3797 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 11a_100000749019_100000210736 [1,0,0,1,0,0|1,0,0]=3 3798 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 1626a_100000749019_100000210736 [1,0,0,1,0,0|1,0,0]=3 3799 B18R1.41513 CCCCCCCCCCCC(=O)NC1CCC1 240690a_100000749019_100000210736 [1,0,0,1,0,0|1,0,0]=3 3800 B18R1.41513 CCCCCCCCCCCC(=O)NC1COC1 11a_100016991112_100000210736 [1,0,0,1,0,0|2,0,0]=4 3801 B18R1.41513 CCCCCCCCCCCC(=O)NC1COC1 1626a_100016991112_100000210736 [1,0,0,1,0,0|2,0,0]=4 3802 B18R1.41513 CCCCCCCCCCCC(=O)NC1COC1 240690a_100016991112_100000210736 [1,0,0,1,0,0|2,0,0]=4 3803 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 11a_100016994217_100000210736 [1,0,0,1,0,0|2,0,0]=4 3804 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 1626a_100016994217_100000210736 [1,0,0,1,0,0|2,0,0]=4 3805 B18R1.41513 CCCCCCCCCCCC(=O)NC1CSC1 240690a_100016994217_100000210736 [1,0,0,1,0,0|2,0,0]=4 3806 B18R1.41513 CCCCCCCCCCCC(C)OC1CCC1 34a_100011217895_100000749161 [1,0,0,1,0,0|1,0,1]=4 3807 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 11a_100000684558_100000763092 [1,0,0,1,0,0|2,0,0]=4 3808 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 1626a_100000684558_100000763092 [1,0,0,1,0,0|2,0,0]=4 3809 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 240690a_100000684558_100000763092 [1,0,0,1,0,0|2,0,0]=4 3810 B18R1.41513 CCCCCCCCCCNC(=O)CC1CCC1 527a_100000684558_100000763092 [1,0,0,1,0,0|2,0,0]=4 3811 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 2708a_100000684558_100000749019 [1,0,0,1,0,0|2,0,0]=4 3812 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 273464a_100000684558_100000749019 [1,0,0,1,0,0|2,0,0]=4 3813 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 273464a_100000749019_100000684558 [1,0,0,1,0,0|2,0,0]=4 3814 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 512a_100000684558_100000749019 [1,0,0,1,0,0|2,0,0]=4 3815 B18R1.41513 CCCCCCCCCCNC(=O)NC1CCC1 512a_100000749019_100000684558 [1,0,0,1,0,0|2,0,0]=4 3816 B18R1.41513 O=C(CCCCCCCCCCO)CC1CCC1 1458a_100000763092_100009813290 [1,0,0,1,0,0|2,0,0]=4 3817 B18R1.41513 O=C(CCCCCCCCCCO)NC1CCC1 240690a_100000749019_200000016029 [1,0,0,1,0,0|2,0,0]=4 3818 B18R1.41514 CCCCCCCCCCCC(=O)C=CC1CC1 1458a_100102529529_100011215454 [1,0,0,1,0,0|1,0,1]=4 3819 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000210736_100000694398 [1,0,0,1,0,0|1,0,0]=3 3820 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011215454 [1,0,0,1,0,0|1,0,0]=3 3821 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CO1 1458a_100000210736_100000732470 [1,0,0,1,0,0|2,0,0]=4 3822 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 11a_100000735609_100000210736 [1,0,0,1,0,0|1,0,0]=3 3823 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 1626a_100000735609_100000210736 [1,0,0,1,0,0|1,0,0]=3 3824 B18R1.41514 CCCCCCCCCCCC(=O)NCC1CC1 240690a_100000735609_100000210736 [1,0,0,1,0,0|1,0,0]=3 3825 B18R1.41514 CCCCCCCCCCCC(=O)NNC1CC1 22a_100000701032_100000210736 [1,0,0,1,0,0|2,0,0]=4 3826 B18R1.41514 CCCCCCCCCCCC(C)OCC1CC1 34a_100011217895_100000742324 [1,0,0,1,0,0|1,0,1]=4 3827 B18R1.41514 CCCCCCCCCCCC(C)OCC1CC1 7a_100011217895_100000742324 [1,0,0,1,0,0|1,0,1]=4 3828 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 11a_100000684558_100000756386 [1,0,0,1,0,0|2,0,0]=4 3829 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 1626a_100000684558_100000756386 [1,0,0,1,0,0|2,0,0]=4 3830 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 240690a_100000684558_100000756386 [1,0,0,1,0,0|2,0,0]=4 3831 B18R1.41514 CCCCCCCCCCNC(=O)CCC1CC1 527a_100000684558_100000756386 [1,0,0,1,0,0|2,0,0]=4 3832 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 2708a_100000684558_100000735609 [1,0,0,1,0,0|2,0,0]=4 3833 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 2708a_100000735609_100000684558 [1,0,0,1,0,0|2,0,0]=4 3834 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 273464a_100000684558_100000735609 [1,0,0,1,0,0|2,0,0]=4 3835 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 273464a_100000735609_100000684558 [1,0,0,1,0,0|2,0,0]=4 3836 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 512a_100000684558_100000735609 [1,0,0,1,0,0|2,0,0]=4 3837 B18R1.41514 CCCCCCCCCCNC(=O)NCC1CC1 512a_100000735609_100000684558 [1,0,0,1,0,0|2,0,0]=4 3838 B18R1.41514 O=C(CCCCCCCCCCO)CCC1CC1 1458a_100000756386_100009813290 [1,0,0,1,0,0|2,0,0]=4 3839 B18R1.41514 O=C(CCCCCCCCCCO)NCC1CC1 240690a_100000735609_200000016029 [1,0,0,1,0,0|2,0,0]=4 3840 B18R1.41515 CC1CCN1C(=O)CCCCCCCCCCO 240690a_100000755817_200000016029 [1,0,0,1,0,0|2,0,0]=4 3841 B18R1.41515 CCCCCCCCCCCC(=O)N1CCC1C 11a_100000755817_100000210736 [1,0,0,1,0,0|1,0,0]=3 3842 B18R1.41515 CCCCCCCCCCCC(=O)N1CCC1C 240690a_100000755817_100000210736 [1,0,0,1,0,0|1,0,0]=3 3843 B18R1.41515 CCCCCCCCCCNC(=O)N1CCC1C 2708a_100000684558_100000755817 [1,0,0,1,0,0|2,0,0]=4 3844 B18R1.41515 CCCCCCCCCCNC(=O)N1CCC1C 273464a_100000684558_100000755817 [1,0,0,1,0,0|2,0,0]=4 3845 B18R1.27 CCCCCCCCCCCN1CCC(CC1)C 2230a_100000188429_100011215454 [0,0,0,1,1,0|2,0,0]=4 3846 B18R1.27 CCCCCCCCCCCN1CCC(CC1)C 269982a_100000188429_100011215454 [0,0,0,1,1,0|2,0,0]=4 3847 B18R1.27 CCCCCCCCCCCN1CCC(CC1)C 34a_100000188429_100011215454 [0,0,0,1,1,0|2,0,0]=4 3848 B18R1.374 CCCCCCC1CCCC1N(C)CCC(C)C 270004a_100000742789_100000189428 [0,0,0,1,1,0|2,0,0]=4 3849 B18R1.1315 COCCCC1CCCCN1C(=O)CCC(C)C 11a_100011804088_100000181311 [0,0,0,1,1,0|2,0,0]=4 3850 B18R1.1315 COCCCC1CCCCN1C(=O)CCC(C)C 1626a_100011804088_100000181311 [0,0,0,1,1,0|2,0,0]=4 3851 B18R1.1315 COCCCC1CCCCN1C(=O)CCC(C)C 240690a_100011804088_100000181311 [0,0,0,1,1,0|2,0,0]=4 3852 B18R1.1315 COCCCC1CCCCN1C(=O)CCC(C)C 527a_100011804088_100000181311 [0,0,0,1,1,0|2,0,0]=4 3853 B18R1.4935 CCCC1CCCCC1OCC(=O)NCC(C)C 34a_100011217265_100000183291 [0,0,0,1,1,0|2,0,0]=4 3854 B18R1.4935 CCCC1CCCCC1OCC(=O)NCC(C)C 7a_100011217265_100000183291 [0,0,0,1,1,0|2,0,0]=4 3855 B18R1.5072 CC(C)CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100000210312 [0,0,0,1,1,0|1,0,0]=3 3856 B18R1.5072 CC(C)CCC(=O)CCCCCN1CCOCC1 1458a_100012051560_100000210312 [0,0,0,1,1,0|2,0,0]=4 3857 B18R1.5072 CC(C)CCC(=O)CCCCOC1CCCCO1 1458a_100000181311_100000031530 [0,0,0,1,1,0|2,0,0]=4 3858 B18R1.5072 CC(C)CCC(=O)NCCCCN1CCCCC1 240690a_200011207366_100000181311 [0,0,0,1,1,0|2,0,0]=4 3859 B18R1.5072 CC(C)CCC(=O)NCCCOC1CCCCC1 11a_100000205933_100000181311 [0,0,0,1,1,0|2,0,0]=4 3860 B18R1.5072 CC(C)CCC(=O)NCCCOC1CCCCC1 1626a_100000205933_100000181311 [0,0,0,1,1,0|2,0,0]=4 3861 B18R1.5072 CC(C)CCC(=O)NCCCOC1CCCCC1 240690a_100000205933_100000181311 [0,0,0,1,1,0|2,0,0]=4 3862 B18R1.5072 CC(C)CCC(=O)NCCCOC1CCCCC1 527a_100000205933_100000181311 [0,0,0,1,1,0|2,0,0]=4 3863 B18R1.5072 CC(C)CNC(=O)CCCCCN1CCCCC1 11a_100000210953_100012051570 [0,0,0,1,1,0|2,0,0]=4 3864 B18R1.5072 CC(C)CNC(=O)CCCCCN1CCCCC1 240690a_100000210953_100012051570 [0,0,0,1,1,0|2,0,0]=4 3865 B18R1.5072 CC(C)CNC(=O)CCCNCC1CCCCC1 2230a_100000210473_100011194448 [0,0,0,1,1,0|2,0,0]=4 3866 B18R1.5072 CC(C)CNC(=O)CCCNCC1CCCCC1 34a_100000210473_100011194448 [0,0,0,1,1,0|2,0,0]=4 3867 B18R1.5072 CC(C)CNC(=O)CCCOCC1CCCCC1 34a_100000212181_100011194448 [0,0,0,1,1,0|2,0,0]=4 3868 B18R1.5072 CC(C)CNC(=O)CCCOCC1CCCCC1 7a_100000212181_100011194448 [0,0,0,1,1,0|2,0,0]=4 3869 B18R1.5072 CC(C)CNC(=O)CCCSCC1CCCCC1 62a_100000211423_100011194448 [0,0,0,1,1,0|2,0,0]=4 3870 B18R1.5072 CC(C)CNC(=O)CCCSCC1CCCCC1 62a_100011194448_100000211423 [0,0,0,1,1,0|2,0,0]=4 3871 B18R1.5072 CC(C)CNC(=O)CNCCCC1CCCCC1 2230a_100011211642_100000183291 [0,0,0,1,1,0|2,0,0]=4 3872 B18R1.5072 CC(C)CNC(=O)CNCCCC1CCCCC1 34a_100011211642_100000183291 [0,0,0,1,1,0|2,0,0]=4 3873 B18R1.5072 CC(C)CNC(=O)COCCCC1CCCCC1 34a_100000198086_100000183291 [0,0,0,1,1,0|2,0,0]=4 3874 B18R1.5072 CC(C)CNC(=O)COCCCC1CCCCC1 7a_100000198086_100000183291 [0,0,0,1,1,0|2,0,0]=4 3875 B18R1.5072 CC(C)CNC(=O)CSCCCC1CCCCC1 62a_100000183291_100011713725 [0,0,0,1,1,0|2,0,0]=4 3876 B18R1.5072 CC(C)CNC(=O)CSCCCC1CCCCC1 62a_100011713725_100000183291 [0,0,0,1,1,0|2,0,0]=4 3877 B18R1.5072 CC(O)CCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100012276601 [0,0,0,1,1,0|2,0,0]=4 3878 B18R1.5077 CC(C)CCC(=O)NCCCCCN1CCCC1 1626a_100011491779_100000181311 [0,0,0,1,1,0|2,0,0]=4 3879 B18R1.5077 CC(C)CCC(=O)NCCCCCN1CCCC1 240690a_100011491779_100000181311 [0,0,0,1,1,0|2,0,0]=4 3880 B18R1.5077 CC(C)CNC(=O)CCCNCCC1CCCC1 2230a_100000739158_100011194448 [0,0,0,1,1,0|2,0,0]=4 3881 B18R1.5077 CC(C)CNC(=O)CCCNCCC1CCCC1 34a_100000739158_100011194448 [0,0,0,1,1,0|2,0,0]=4 3882 B18R1.5077 CC(C)CNC(=O)CCCOCCC1CCCC1 34a_100000749090_100011194448 [0,0,0,1,1,0|2,0,0]=4 3883 B18R1.5077 CC(C)CNC(=O)CCCOCCC1CCCC1 7a_100000749090_100011194448 [0,0,0,1,1,0|2,0,0]=4 3884 B18R1.5077 CC(C)CNC(=O)CCCSCCC1CCCC1 62a_100000760354_100011194448 [0,0,0,1,1,0|2,0,0]=4 3885 B18R1.5077 CC(C)CNC(=O)CCCSCCC1CCCC1 62a_100011194448_100000760354 [0,0,0,1,1,0|2,0,0]=4 3886 B18R1.10198 CC(C)CCC(=O)NCCCN1CCCCC1C 240690a_100000212276_100000181311 [0,0,0,1,1,0|2,0,0]=4 3887 B18R1.10198 CC(C)CCC(=O)NCCCN1CCCCC1C 527a_100000212276_100000181311 [0,0,0,1,1,0|2,0,0]=4 3888 B18R1.10198 CC(C)CNC(=O)CCCNC1CCCCC1C 2230a_100000211402_100011194448 [0,0,0,1,1,0|2,0,0]=4 3889 B18R1.10198 CC(C)CNC(=O)CCCNC1CCCCC1C 34a_100000211402_100011194448 [0,0,0,1,1,0|2,0,0]=4 3890 B18R1.10198 CC(C)CNC(=O)CCCOC1CCCCC1C 34a_100000211207_100011194448 [0,0,0,1,1,0|2,0,0]=4 3891 B18R1.10198 CC(C)CNC(=O)CCCOC1CCCCC1C 7a_100000211207_100011194448 [0,0,0,1,1,0|2,0,0]=4 3892 B18R1.13154 CCCCCCCCCCCN1CCC(C1)(C)C 2230a_100000764714_100011215454 [0,0,0,1,1,0|2,0,0]=4 3893 B18R1.13154 CCCCCCCCCCCN1CCC(C1)(C)C 269982a_100000764714_100011215454 [0,0,0,1,1,0|2,0,0]=4 3894 B18R1.37991 CCC1CCCCN1CCCC(=O)NCC(C)C 2230a_100000210034_100011194448 [0,0,0,1,1,0|2,0,0]=4 3895 B18R1.37991 CCC1CCCCN1CCCC(=O)NCC(C)C 269982a_100000210034_100011194448 [0,0,0,1,1,0|2,0,0]=4 3896 B18R1.37991 CCC1CCCCN1CCCC(=O)NCC(C)C 34a_100000210034_100011194448 [0,0,0,1,1,0|2,0,0]=4 3897 B18R1.37991 CCC1CCCCN1CCNC(=O)CCC(C)C 11a_100000755458_100000181311 [0,0,0,1,1,0|2,0,0]=4 3898 B18R1.37991 CCC1CCCCN1CCNC(=O)CCC(C)C 1626a_100000755458_100000181311 [0,0,0,1,1,0|2,0,0]=4 3899 B18R1.37991 CCC1CCCCN1CCNC(=O)CCC(C)C 240690a_100000755458_100000181311 [0,0,0,1,1,0|2,0,0]=4 3900 B18R1.37991 CCC1CCCCN1CCNC(=O)CCC(C)C 527a_100000755458_100000181311 [0,0,0,1,1,0|2,0,0]=4 3901 B18R1.41516 C=C1CC(C1)C(=O)CCCCCCCCCCC 1458a_100000065620_100011215454 [0,0,0,1,1,0|0,0,2]=4 3902 B18R1.41516 C=CCCCCCCCCCC(=O)C1CC(C1)C 1458a_100000686124_100009814027 [0,0,0,1,1,0|0,0,2]=4 3903 B18R1.41516 CC1CC(C1)C(=O)CCCCCCCCCCO 1458a_100000686124_100009813290 [0,0,0,1,1,0|1,0,0]=3 3904 B18R1.41516 CC1CC(C1)C(=O)NCCCCCCCCCO 240690a_100000078944_100000686124 [0,0,0,1,1,0|2,0,0]=4 3905 B18R1.41516 CC1CN(C1)C(=O)CCCCCCCCCCO 240690a_100000702820_200000016029 [0,0,0,1,1,0|2,0,0]=4 3906 B18R1.41516 CCCCCCCCCCCC(=O)C1CC(C1)C 1458a_100000686124_100011215454 [0,0,0,1,1,0|0,0,0]=2 3907 B18R1.41516 CCCCCCCCCCCC(=O)C1CC(C1)F 1458a_100000062598_100011215454 [0,0,0,1,1,0|1,0,0]=3 3908 B18R1.41516 CCCCCCCCCCCC(=O)C1CN(C1)C 1458a_100012002723_100011215454 [0,0,0,1,1,0|1,0,0]=3 3909 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)C 11a_100000702820_100000210736 [0,0,0,1,1,0|1,0,0]=3 3910 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)C 240690a_100000702820_100000210736 [0,0,0,1,1,0|1,0,0]=3 3911 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)F 11a_100000690557_100000210736 [0,0,0,1,1,0|2,0,0]=4 3912 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)F 240690a_100000690557_100000210736 [0,0,0,1,1,0|2,0,0]=4 3913 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)O 11a_100000749847_100000210736 [0,0,0,1,1,0|2,0,0]=4 3914 B18R1.41516 CCCCCCCCCCCC(=O)N1CC(C1)O 240690a_100000749847_100000210736 [0,0,0,1,1,0|2,0,0]=4 3915 B18R1.41516 CCCCCCCCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215454 [0,0,0,1,1,0|1,0,0]=3 3916 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)C 11a_100000684558_100000686124 [0,0,0,1,1,0|1,0,0]=3 3917 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)C 1626a_100000684558_100000686124 [0,0,0,1,1,0|1,0,0]=3 3918 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)C 240690a_100000684558_100000686124 [0,0,0,1,1,0|1,0,0]=3 3919 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)C 527a_100000684558_100000686124 [0,0,0,1,1,0|1,0,0]=3 3920 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)F 11a_100000684558_100000062598 [0,0,0,1,1,0|2,0,0]=4 3921 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)F 1626a_100000684558_100000062598 [0,0,0,1,1,0|2,0,0]=4 3922 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)F 240690a_100000684558_100000062598 [0,0,0,1,1,0|2,0,0]=4 3923 B18R1.41516 CCCCCCCCCCNC(=O)C1CC(C1)F 527a_100000684558_100000062598 [0,0,0,1,1,0|2,0,0]=4 3924 B18R1.41516 CCCCCCCCCCNC(=O)C1CN(C1)C 240690a_100000684558_100012002723 [0,0,0,1,1,0|2,0,0]=4 3925 B18R1.41516 CCCCCCCCCCNC(=O)N1CC(C1)C 2708a_100000684558_100000702820 [0,0,0,1,1,0|2,0,0]=4 3926 B18R1.41516 CCCCCCCCCCNC(=O)N1CC(C1)C 273464a_100000684558_100000702820 [0,0,0,1,1,0|2,0,0]=4 3927 B18R1.41516 CCCCCCCCCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100000684558_100015266633 [0,0,0,1,1,0|2,0,0]=4 3928 B18R1.41516 CCCCCCCCCCNC(=O)[C@H]1C[C@H](C1)O 527a_100000684558_100015266633 [0,0,0,1,1,0|2,0,0]=4 3929 B18R1.41516 CN1CC(C1)C(=O)CCCCCCCCCCO 1458a_100012002723_100009813290 [0,0,0,1,1,0|2,0,0]=4 3930 B18R1.41516 O=C(CCCCCCCCCCO)C1CC(C1)F 1458a_100000062598_100009813290 [0,0,0,1,1,0|2,0,0]=4 3931 B18R1.41516 O=C(CCCCCCCCCCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100009813290 [0,0,0,1,1,0|2,0,0]=4 3932 B18R1.49453 CC1(COC(=O)[C@@H]1OCCCCCCCCO)C 34a_100009815050_100000033203 [0,0,0,1,1,0|2,0,0]=4 3933 B18R1.49453 CC1(COC(=O)[C@@H]1OCCCCCCCCO)C 7a_100009815050_100000033203 [0,0,0,1,1,0|2,0,0]=4 3934 B18R1.49453 CCCCCCCCCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100011214924 [0,0,0,1,1,0|1,0,0]=3 3935 B18R1.49453 CCCCCCCCCO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100000210328 [0,0,0,1,1,0|1,0,0]=3 3936 B18R1.58550 CC(C)CCC(=O)NCCCN1CCCCCC1 11a_100000181460_100000181311 [0,0,0,1,1,0|2,0,0]=4 3937 B18R1.58550 CC(C)CCC(=O)NCCCN1CCCCCC1 240690a_100000181460_100000181311 [0,0,0,1,1,0|2,0,0]=4 3938 B18R1.58550 CC(C)CCC(=O)NCCCN1CCCCCC1 527a_100000181460_100000181311 [0,0,0,1,1,0|2,0,0]=4 3939 B18R1.58550 CC(C)CNC(=O)CCCNC1CCCCCC1 2230a_100000210984_100011194448 [0,0,0,1,1,0|2,0,0]=4 3940 B18R1.58550 CC(C)CNC(=O)CCCNC1CCCCCC1 34a_100000210984_100011194448 [0,0,0,1,1,0|2,0,0]=4 3941 B18R1.58550 CC(C)CNC(=O)CCCOC1CCCCCC1 34a_100000210887_100011194448 [0,0,0,1,1,0|2,0,0]=4 3942 B18R1.58550 CC(C)CNC(=O)CCCOC1CCCCCC1 7a_100000210887_100011194448 [0,0,0,1,1,0|2,0,0]=4 3943 B18R1.58550 CC(C)CNC(=O)CCCSC1CCCCCC1 62a_100011194448_100011217769 [0,0,0,1,1,0|2,0,0]=4 3944 B18R1.58550 CC(C)CNC(=O)CCCSC1CCCCCC1 62a_100011217769_100011194448 [0,0,0,1,1,0|2,0,0]=4 3945 B18R1.58550 CC(C)CNC(=O)CNCCC1CCCCCC1 2230a_100011532351_100000183291 [0,0,0,1,1,0|2,0,0]=4 3946 B18R1.58550 CC(C)CNC(=O)CNCCC1CCCCCC1 34a_100011532351_100000183291 [0,0,0,1,1,0|2,0,0]=4 3947 B18R1.174775 CC(C)CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000181311 [0,0,0,1,1,0|1,0,0]=3 3948 B18R1.174775 CC(C)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000181311 [0,0,0,1,1,0|1,0,0]=3 3949 B18R1.174775 CC(C)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000181311 [0,0,0,1,1,0|1,0,0]=3 3950 B18R1.174775 CC(C)CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000181311 [0,0,0,1,1,0|1,0,0]=3 3951 B18R1.174775 CC(C)CNC(=O)CCCN1CCCCCCC1 2230a_100000211400_100011194448 [0,0,0,1,1,0|2,0,0]=4 3952 B18R1.174775 CC(C)CNC(=O)CCCN1CCCCCCC1 269982a_100000211400_100011194448 [0,0,0,1,1,0|2,0,0]=4 3953 B18R1.174775 CC(C)CNC(=O)CCCN1CCCCCCC1 34a_100000211400_100011194448 [0,0,0,1,1,0|2,0,0]=4 3954 B18R1.174775 CC(C)CNC(=O)COCC1CCCCCCC1 34a_100011216312_100000183291 [0,0,0,1,1,0|2,0,0]=4 3955 B18R1.174775 CC(C)CNC(=O)COCC1CCCCCCC1 7a_100011216312_100000183291 [0,0,0,1,1,0|2,0,0]=4 3956 B18R1.174775 CC(C)CNC(=O)NCCC1CCCCCCC1 2708a_100000210953_100011532352 [0,0,0,1,1,0|2,0,0]=4 3957 B18R1.174775 CC(C)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000210953 [0,0,0,1,1,0|2,0,0]=4 3958 B18R1.174775 CC(C)CNC(=O)NCCC1CCCCCCC1 273464a_100000210953_100011532352 [0,0,0,1,1,0|2,0,0]=4 3959 B18R1.174775 CC(C)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000210953 [0,0,0,1,1,0|2,0,0]=4 3960 B18R1.174775 CC(C)CNC(=O)NCCC1CCCCCCC1 512a_100000210953_100011532352 [0,0,0,1,1,0|2,0,0]=4 3961 B18R1.174775 CC(C)OCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000745533 [0,0,0,1,1,0|2,0,0]=4 3962 B18R1.174775 CC(C)OCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000745533 [0,0,0,1,1,0|2,0,0]=4 3963 B18R1.174775 CC(C)OCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000745533 [0,0,0,1,1,0|2,0,0]=4 3964 B18R1.174775 CC(C)OCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000745533 [0,0,0,1,1,0|2,0,0]=4 3965 B18R1.174775 CC(C)SCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000241585 [0,0,0,1,1,0|2,0,0]=4 3966 B18R1.174775 CC(C)SCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000241585 [0,0,0,1,1,0|2,0,0]=4 3967 B18R1.174775 CC(C)SCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000241585 [0,0,0,1,1,0|2,0,0]=4 3968 B18R1.174775 CC(C)SCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000241585 [0,0,0,1,1,0|2,0,0]=4 3969 B18R1.174775 CC(O)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100000718519 [0,0,0,1,1,0|2,0,0]=4 3970 B18R1.174775 CN(C)CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100000689311 [0,0,0,1,1,0|2,0,0]=4 3971 B18R1.174775 CN(C)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100000689311 [0,0,0,1,1,0|2,0,0]=4 3972 B18R1.174775 CN(C)CCC(=O)NCCC1CCCCCCC1 527a_100011532352_100000689311 [0,0,0,1,1,0|2,0,0]=4 3973 B18R1.174775 C[S+](C)CCC(=O)NCCC1CCCCCCC1 11a_100011532352_100009452791 [0,0,0,1,1,0|2,0,0]=4 3974 B18R1.174775 C[S+](C)CCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100009452791 [0,0,0,1,1,0|2,0,0]=4 3975 B18R1.174775 C[S+](C)CCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100009452791 [0,0,0,1,1,0|2,0,0]=4 3976 B18R1.299062 C=CCCCCCCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100009814027 [0,0,0,1,1,0|0,0,2]=4 3977 B18R1.299062 CC1(C[C@@H]1C(=O)CCCCCCCCCCO)C 1458a_100000692687_100009813290 [0,0,0,1,1,0|1,0,0]=3 3978 B18R1.299062 CC1(C[C@@H]1C(=O)NCCCCCCCCCO)C 240690a_100000078944_100000692687 [0,0,0,1,1,0|2,0,0]=4 3979 B18R1.299062 CCCCCCCCCCCC(=O)C1CC1(F)F 1458a_100000042250_100011215454 [0,0,0,1,1,0|2,0,0]=4 3980 B18R1.299062 CCCCCCCCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011215454 [0,0,0,1,1,0|0,0,0]=2 3981 B18R1.299062 CCCCCCCCCCNC(=O)[C@H]1CC1(C)C 11a_100000684558_100000692687 [0,0,0,1,1,0|1,0,0]=3 3982 B18R1.299062 CCCCCCCCCCNC(=O)[C@H]1CC1(C)C 1626a_100000684558_100000692687 [0,0,0,1,1,0|1,0,0]=3 3983 B18R1.299062 CCCCCCCCCCNC(=O)[C@H]1CC1(C)C 240690a_100000684558_100000692687 [0,0,0,1,1,0|1,0,0]=3 3984 B18R1.299062 CCCCCCCCCCNC(=O)[C@H]1CC1(C)C 527a_100000684558_100000692687 [0,0,0,1,1,0|1,0,0]=3 3985 B20R1.699 CC1CCCC(C1)C(=O)CCCCCCCCCCO 1458a_100011215569_100009813290 [0,0,0,1,0,1|2,0,0]=4 3986 B20R1.699 CC1CN(CCO1)C(=O)CCCCCCCCCCO 240690a_100000729577_200000016029 [0,0,0,1,0,1|2,0,0]=4 3987 B20R1.699 CCCCCCCCCCCC(=O)C1CCCC(C1)O 1458a_100000707227_100011215454 [0,0,0,1,0,1|2,0,0]=4 3988 B20R1.699 CCCCCCCCCCCC(=O)C1CCCN(C1)C 1458a_100015257587_100011215454 [0,0,0,1,0,1|2,0,0]=4 3989 B20R1.699 CCCCCCCCCCCC(=O)C1CN(CCO1)C 1458a_100011543126_100011215454 [0,0,0,1,0,1|1,0,0]=3 3990 B20R1.699 CCCCCCCCCCCC(=O)N1CCC=C(C1)C 11a_100000725631_100000210736 [0,0,0,1,0,1|1,0,1]=4 3991 B20R1.699 CCCCCCCCCCCC(=O)N1CCC=C(C1)C 1626a_100000725631_100000210736 [0,0,0,1,0,1|1,0,1]=4 3992 B20R1.699 CCCCCCCCCCCC(=O)N1CCC=C(C1)C 240690a_100000725631_100000210736 [0,0,0,1,0,1|1,0,1]=4 3993 B20R1.699 CCCCCCCCCCCC(=O)N1CCCC(C1)F 11a_100000697950_100000210736 [0,0,0,1,0,1|2,0,0]=4 3994 B20R1.699 CCCCCCCCCCCC(=O)N1CCCC(C1)F 1626a_100000697950_100000210736 [0,0,0,1,0,1|2,0,0]=4 3995 B20R1.699 CCCCCCCCCCCC(=O)N1CCCC(C1)F 240690a_100000697950_100000210736 [0,0,0,1,0,1|2,0,0]=4 3996 B20R1.699 CCCCCCCCCCCC(=O)N1CCCC(C1)O 240690a_100000211013_100000210736 [0,0,0,1,0,1|2,0,0]=4 3997 B20R1.699 CCCCCCCCCCCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210736 [0,0,0,1,0,1|1,0,0]=3 3998 B20R1.699 CCCCCCCCCCCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210736 [0,0,0,1,0,1|1,0,0]=3 3999 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(C1)C 11a_100000729577_100000210736 [0,0,0,1,0,1|1,0,0]=3 4000 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(C1)C 1626a_100000729577_100000210736 [0,0,0,1,0,1|1,0,0]=3 4001 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(C1)C 240690a_100000729577_100000210736 [0,0,0,1,0,1|1,0,0]=3 4002 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(C1)O 11a_100000688207_100000210736 [0,0,0,1,0,1|2,0,0]=4 4003 B20R1.699 CCCCCCCCCCCC(=O)N1CCOC(C1)O 240690a_100000688207_100000210736 [0,0,0,1,0,1|2,0,0]=4 4004 B20R1.699 CCCCCCCCCCNC(=O)C1CCCC(C1)C 11a_100000684558_100011215569 [0,0,0,1,0,1|2,0,0]=4 4005 B20R1.699 CCCCCCCCCCNC(=O)C1CCCC(C1)C 1626a_100000684558_100011215569 [0,0,0,1,0,1|2,0,0]=4 4006 B20R1.699 CCCCCCCCCCNC(=O)C1CCCC(C1)C 240690a_100000684558_100011215569 [0,0,0,1,0,1|2,0,0]=4 4007 B20R1.699 CCCCCCCCCCNC(=O)C1CCCC(C1)C 527a_100000684558_100011215569 [0,0,0,1,0,1|2,0,0]=4 4008 B20R1.699 CCCCCCCCCCNC(=O)C1CN(CCO1)C 11a_100000684558_100011543126 [0,0,0,1,0,1|2,0,0]=4 4009 B20R1.699 CCCCCCCCCCNC(=O)C1CN(CCO1)C 240690a_100000684558_100011543126 [0,0,0,1,0,1|2,0,0]=4 4010 B20R1.699 CCCCCCCCCCNC(=O)C1CN(CCO1)C 527a_100000684558_100011543126 [0,0,0,1,0,1|2,0,0]=4 4011 B20R1.699 CCCCCCCCCCNC(=O)N1CCC[C@@H](C1)C 2708a_100000684558_100000717927 [0,0,0,1,0,1|2,0,0]=4 4012 B20R1.699 CCCCCCCCCCNC(=O)N1CCC[C@@H](C1)C 273464a_100000684558_100000717927 [0,0,0,1,0,1|2,0,0]=4 4013 B20R1.699 CCCCCCCCCCNC(=O)N1CCOC(C1)C 2708a_100000684558_100000729577 [0,0,0,1,0,1|2,0,0]=4 4014 B20R1.699 CCCCCCCCCCNC(=O)N1CCOC(C1)C 273464a_100000684558_100000729577 [0,0,0,1,0,1|2,0,0]=4 4015 B20R1.699 CCCCCCCCCNCC(=O)N1CCCC(C1)C 2230a_100000212291_100000182890 [0,0,0,1,0,1|2,0,0]=4 4016 B20R1.699 CCCCCCCCCNCC(=O)N1CCCC(C1)C 34a_100000212291_100000182890 [0,0,0,1,0,1|2,0,0]=4 4017 B20R1.699 CCCCCCCCCOCC(=O)N1CCCC(C1)C 34a_100000210712_100000182890 [0,0,0,1,0,1|2,0,0]=4 4018 B20R1.699 CCCCCCCCCOCC(=O)N1CCCC(C1)C 7a_100000210712_100000182890 [0,0,0,1,0,1|2,0,0]=4 4019 B20R1.699 CCCCCCCCCSCC(=O)N1CCCC(C1)C 62a_100000182890_100000210670 [0,0,0,1,0,1|2,0,0]=4 4020 B20R1.699 CCCCCCCCNCCC(=O)N1CCCC(C1)C 2230a_100000229939_200011194461 [0,0,0,1,0,1|2,0,0]=4 4021 B20R1.699 CCCCCCCCNCCC(=O)N1CCCC(C1)C 34a_100000229939_200011194461 [0,0,0,1,0,1|2,0,0]=4 4022 B20R1.699 CCCCCCCCOCCC(=O)N1CCCC(C1)C 34a_100000210232_200011194461 [0,0,0,1,0,1|2,0,0]=4 4023 B20R1.699 CCCCCCCCOCCC(=O)N1CCCC(C1)C 7a_100000210232_200011194461 [0,0,0,1,0,1|2,0,0]=4 4024 B20R1.699 CCCCCCCCSCCC(=O)N1CCCC(C1)C 62a_100000210759_200011194461 [0,0,0,1,0,1|2,0,0]=4 4025 B20R1.699 CCCCCCCCSCCC(=O)N1CCCC(C1)C 62a_200011194461_100000210317 [0,0,0,1,0,1|2,0,0]=4 4026 B20R1.699 CN1CCOC(C1)C(=O)CCCCCCCCCCO 1458a_100011543126_100009813290 [0,0,0,1,0,1|2,0,0]=4 4027 B20R1.699 C[C@H]1CCCN(C1)C(=O)CCCCCCCCCCO 240690a_100000717927_200000016029 [0,0,0,1,0,1|2,0,0]=4 4028 B20R1.3360 CCCCCCCCCCCC(=O)CC1CCN(C1)C 1458a_100000210736_200000690779 [0,0,0,1,0,1|2,0,0]=4 4029 B20R1.3360 CCCCCCCCCCCC(=O)NC1CCN(C1)C 1626a_100000744687_100000210736 [0,0,0,1,0,1|2,0,0]=4 4030 B20R1.3360 CCCCCCCCCCCC(=O)NC1CCN(C1)C 240690a_100000744687_100000210736 [0,0,0,1,0,1|2,0,0]=4 4031 B20R1.3360 CCCCCCCCCCCC(=O)N[C@H]1CC[C@H](C1)O 1626a_100015195300_100000210736 [0,0,0,1,0,1|2,0,0]=4 4032 B20R1.3360 CCCCCCCCCCCC(=O)N[C@H]1CC[C@H](C1)O 240690a_100015195300_100000210736 [0,0,0,1,0,1|2,0,0]=4 4033 B20R1.3360 CCCCCCCCCCOC(=O)CN1CC[C@H](C1)C 2230a_100016987628_100000210668 [0,0,0,1,0,1|2,0,0]=4 4034 B20R1.3360 CCCCCCCCCCOC(=O)CN1CC[C@H](C1)C 269982a_100016987628_100000210668 [0,0,0,1,0,1|2,0,0]=4 4035 B20R1.3360 CCCCCCCCCCOC(=O)CN1CC[C@H](C1)C 34a_100016987628_100000210668 [0,0,0,1,0,1|2,0,0]=4 4036 B20R1.9812 CC(C)CCOCC(=O)NCCOC1CCCCC1C 34a_100000210254_100000048872 [0,0,0,1,0,1|2,0,0]=4 4037 B20R1.9812 CC(C)CCOCC(=O)NCCOC1CCCCC1C 7a_100000210254_100000048872 [0,0,0,1,0,1|2,0,0]=4 4038 B20R1.17383 CCCCCCCCCCCc1nc(no1)CC(C)C 270196a_100000210173_100000210736 [0,0,0,1,0,1|1,0,1]=4 4039 B20R1.17383 CCCCCCCCCCCc1noc(n1)CC(C)C 270196a_100000749962_100000210554 [0,0,0,1,0,1|1,0,1]=4 4040 B20R1.30950 CC(C)CCCCC(=O)CCCCCN1CCCCC1 1458a_100012051570_100011216152 [0,0,0,1,0,1|2,0,0]=4 4041 B20R1.30950 CC(C)CCCNC(=O)CCCCCN1CCCCC1 11a_200000737386_100012051570 [0,0,0,1,0,1|2,0,0]=4 4042 B20R1.30950 CC(C)CCCNC(=O)CCCCCN1CCCCC1 240690a_200000737386_100012051570 [0,0,0,1,0,1|2,0,0]=4 4043 B20R1.30950 CC(C)CCOCC(=O)NCCCOC1CCCCC1 34a_100000210254_100000742070 [0,0,0,1,0,1|2,0,0]=4 4044 B20R1.30950 CC(C)CCOCC(=O)NCCCOC1CCCCC1 7a_100000210254_100000742070 [0,0,0,1,0,1|2,0,0]=4 4045 B20R1.30950 CC(C)OCCNC(=O)CCCCCN1CCCCC1 11a_100000701111_100012051570 [0,0,0,1,0,1|2,0,0]=4 4046 B20R1.30950 CC(C)OCCNC(=O)CCCCCN1CCCCC1 240690a_100000701111_100012051570 [0,0,0,1,0,1|2,0,0]=4 4047 B20R1.30950 CC(C)SCCNC(=O)CCCCCN1CCCCC1 11a_100000731138_100012051570 [0,0,0,1,0,1|2,0,0]=4 4048 B20R1.30950 CC(C)SCCNC(=O)CCCCCN1CCCCC1 240690a_100000731138_100012051570 [0,0,0,1,0,1|2,0,0]=4 4049 B20R1.68693 CCCCCCCCCCCC(=O)NCCOC1CC1 34a_100007860320_100000211595 [0,0,0,1,0,1|1,0,0]=3 4050 B20R1.68693 CCCCCCCCCCCC(=O)OCCNC1CC1 34a_100000212008_100000091854 [0,0,0,1,0,1|0,0,0]=2 4051 B20R1.68693 CCCCCCCCCCCC(=O)OCNCC1CC1 2230a_100000735609_100020644155 [0,0,0,1,0,1|0,0,0]=2 4052 B20R1.68693 CCCCCCCCCCCC(=O)OCNCC1CC1 34a_100000735609_100020644155 [0,0,0,1,0,1|0,0,0]=2 4053 B20R1.68693 CCCCCCCCCCCC(=O)OCOCC1CC1 34a_100000211283_100020644155 [0,0,0,1,0,1|0,0,0]=2 4054 B20R1.68693 CCCCCCCCCCCC(=O)OCOC[C@@H]1CO1 34a_100000757423_100020644155 [0,0,0,1,0,1|1,0,0]=3 4055 B20R1.68693 CCCCCCCCCCCC(=O)OCSCC1CC1 62a_100000756562_100020644155 [0,0,0,1,0,1|0,0,0]=2 4056 B20R1.68693 CCCCCCCCCCCC(=O)OCSCC1CO1 62a_102125554688_100020644155 [0,0,0,1,0,1|1,0,0]=3 4057 B20R1.68693 CCCCCCCCCCCC(=O)OCSCC1CS1 62a_100000031435_100020644155 [0,0,0,1,0,1|1,0,0]=3 4058 B20R1.68693 CCCCCCCCCCCC(=O)OCSC[C@@H]1CO1 62a_100000745022_100020644155 [0,0,0,1,0,1|1,0,0]=3 4059 B20R1.68693 CCCCCCCCCCOC(=O)CNCCC1CC1 34a_100000764129_100000210668 [0,0,0,1,0,1|2,0,0]=4 4060 B20R1.68693 CCCCCCCCCCOC(=O)COCCC1CC1 34a_100000754188_100000210668 [0,0,0,1,0,1|1,0,0]=3 4061 B20R1.68693 CCCCCCCCCCOC(=O)COCCC1CC1 7a_100000754188_100000210668 [0,0,0,1,0,1|1,0,0]=3 4062 B20R1.68693 CCCCCCCCCCOC(=O)COCC[C@@H]1CO1 34a_100009820653_100000210668 [0,0,0,1,0,1|2,0,0]=4 4063 B20R1.68693 CCCCCCCCCCOC(=O)CSCCC1CC1 62a_100000680656_100000764125 [0,0,0,1,0,1|1,1,0]=4 4064 B20R1.68693 CCCCCCCCCCOC(=O)CSCCC1CC1 62a_100000764125_100000680656 [0,0,0,1,0,1|1,1,0]=4 4065 B20R1.68695 CCCCCCCCCCCC(=O)NCC1CC(C1)O 11a_100016992100_100000210736 [0,0,0,1,0,1|2,0,0]=4 4066 B20R1.68695 CCCCCCCCCCCC(=O)NCC1CC(C1)O 240690a_100016992100_100000210736 [0,0,0,1,0,1|2,0,0]=4 4067 B20R1.68695 CCCCCCCCCCCC(=O)NCC1CN(C1)C 240690a_100000723568_100000210736 [0,0,0,1,0,1|2,0,0]=4 4068 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)C 2230a_100000702820_100020644155 [0,0,0,1,0,1|0,0,0]=2 4069 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)C 269982a_100000702820_100020644155 [0,0,0,1,0,1|0,0,0]=2 4070 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)C 34a_100000702820_100020644155 [0,0,0,1,0,1|0,0,0]=2 4071 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)F 2230a_100000690557_100020644155 [0,0,0,1,0,1|1,0,0]=3 4072 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)F 269982a_100000690557_100020644155 [0,0,0,1,0,1|1,0,0]=3 4073 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)F 34a_100000690557_100020644155 [0,0,0,1,0,1|1,0,0]=3 4074 B20R1.68695 CCCCCCCCCCCC(=O)OCN1CC(C1)O 269982a_100000749847_100020644155 [0,0,0,1,0,1|1,0,0]=3 4075 B20R1.68702 CC1(CCCN1C(=O)CCCCCCCCCCO)C 240690a_100000761399_200000016029 [0,0,0,1,0,1|2,0,0]=4 4076 B20R1.68702 CC1(COCN1C(=O)CCCCCCCCCCO)C 240690a_100000043020_200000016029 [0,0,0,1,0,1|2,0,0]=4 4077 B20R1.68702 CC1(SCCN1C(=O)CCCCCCCCCCO)C 240690a_100011217261_200000016029 [0,0,0,1,0,1|2,0,0]=4 4078 B20R1.68702 CCCCCCCCCCCC(=O)N1CCCC1(C)C 11a_100000761399_100000210736 [0,0,0,1,0,1|1,0,0]=3 4079 B20R1.68702 CCCCCCCCCCCC(=O)N1CCCC1(C)C 1626a_100000761399_100000210736 [0,0,0,1,0,1|1,0,0]=3 4080 B20R1.68702 CCCCCCCCCCCC(=O)N1CCCC1(C)C 240690a_100000761399_100000210736 [0,0,0,1,0,1|1,0,0]=3 4081 B20R1.68702 CCCCCCCCCCCC(=O)N1CCSC1(C)C 11a_100011217261_100000210736 [0,0,0,1,0,1|1,0,0]=3 4082 B20R1.68702 CCCCCCCCCCCC(=O)N1CCSC1(C)C 1626a_100011217261_100000210736 [0,0,0,1,0,1|1,0,0]=3 4083 B20R1.68702 CCCCCCCCCCCC(=O)N1CCSC1(C)C 240690a_100011217261_100000210736 [0,0,0,1,0,1|1,0,0]=3 4084 B20R1.68702 CCCCCCCCCCCC(=O)N1COCC1(C)C 1626a_100000043020_100000210736 [0,0,0,1,0,1|1,0,0]=3 4085 B20R1.68702 CCCCCCCCCCCC(=O)N1COCC1(C)C 240690a_100000043020_100000210736 [0,0,0,1,0,1|1,0,0]=3 4086 B20R1.68702 CCCCCCCCCCCC(=O)[C@@H]1CCC[N+]1(C)C 1458a_100016991750_100011215454 [0,0,0,1,0,1|2,0,0]=4 4087 B20R1.68702 CCCCCCCCCCNC(=O)N1CCCC1(C)C 2708a_100000684558_100000761399 [0,0,0,1,0,1|2,0,0]=4 4088 B20R1.68702 CCCCCCCCCCNC(=O)N1CCCC1(C)C 273464a_100000684558_100000761399 [0,0,0,1,0,1|2,0,0]=4 4089 B20R1.68702 CCCCCCCCCCNC(=O)N1CCSC1(C)C 2708a_100000684558_100011217261 [0,0,0,1,0,1|2,0,0]=4 4090 B20R1.68702 CCCCCCCCCCNC(=O)N1CCSC1(C)C 273464a_100000684558_100011217261 [0,0,0,1,0,1|2,0,0]=4 4091 B20R1.68702 CCCCCCCCCCNC(=O)N1COCC1(C)C 273464a_100000684558_100000043020 [0,0,0,1,0,1|2,0,0]=4 4092 B20R1.277383 CCCCCCCCCCCC(=O)OCN[C@@H]1C[C@@H]1F 2230a_100015190264_100020644155 [0,0,0,1,0,1|1,0,0]=3 4093 B20R1.277383 CCCCCCCCCCCC(=O)OCN[C@@H]1C[C@H]1F 2230a_100025746932_100020644155 [0,0,0,1,0,1|1,0,0]=3 4094 B20R1.277383 CCCCCCCCCCCC(=O)OCN[C@@H]1C[C@H]1F 34a_100025746932_100020644155 [0,0,0,1,0,1|1,0,0]=3 4095 B20R1.277383 CCCCCCCCCCOC(=O)COCC1CC1C 34a_100000744939_100000210668 [0,0,0,1,0,1|1,0,0]=3 4096 B20R1.277383 CCCCCCCCCCOC(=O)COCC1CC1C 7a_100000744939_100000210668 [0,0,0,1,0,1|1,0,0]=3 4097 B20R1.427017 CC(C)CCCCC(=O)NCCC1CCCCCCC1 11a_100011532352_100011933920 [0,0,0,1,0,1|2,0,0]=4 4098 B20R1.427017 CC(C)CCCCC(=O)NCCC1CCCCCCC1 1626a_100011532352_100011933920 [0,0,0,1,0,1|2,0,0]=4 4099 B20R1.427017 CC(C)CCCCC(=O)NCCC1CCCCCCC1 240690a_100011532352_100011933920 [0,0,0,1,0,1|2,0,0]=4 4100 B20R1.427017 CC(C)CCCCC(=O)NCCC1CCCCCCC1 527a_100011532352_100011933920 [0,0,0,1,0,1|2,0,0]=4 4101 B20R1.427017 CC(C)CCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_200000737386 [0,0,0,1,0,1|2,0,0]=4 4102 B20R1.427017 CC(C)CCCNC(=O)NCCC1CCCCCCC1 2708a_200000737386_100011532352 [0,0,0,1,0,1|2,0,0]=4 4103 B20R1.427017 CC(C)CCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_200000737386 [0,0,0,1,0,1|2,0,0]=4 4104 B20R1.427017 CC(C)CCCNC(=O)NCCC1CCCCCCC1 273464a_200000737386_100011532352 [0,0,0,1,0,1|2,0,0]=4 4105 B20R1.427017 CC(C)CCCNC(=O)NCCC1CCCCCCC1 512a_200000737386_100011532352 [0,0,0,1,0,1|2,0,0]=4 4106 B20R1.427017 CC(C)OCCNC(=O)NCCC1CCCCCCC1 2708a_100000701111_100011532352 [0,0,0,1,0,1|2,0,0]=4 4107 B20R1.427017 CC(C)OCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000701111 [0,0,0,1,0,1|2,0,0]=4 4108 B20R1.427017 CC(C)OCCNC(=O)NCCC1CCCCCCC1 273464a_100000701111_100011532352 [0,0,0,1,0,1|2,0,0]=4 4109 B20R1.427017 CC(C)OCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000701111 [0,0,0,1,0,1|2,0,0]=4 4110 B20R1.427017 CC(C)OCCNC(=O)NCCC1CCCCCCC1 512a_100000701111_100011532352 [0,0,0,1,0,1|2,0,0]=4 4111 B20R1.427017 CC(C)SCCNC(=O)NCCC1CCCCCCC1 2708a_100000731138_100011532352 [0,0,0,1,0,1|2,0,0]=4 4112 B20R1.427017 CC(C)SCCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000731138 [0,0,0,1,0,1|2,0,0]=4 4113 B20R1.427017 CC(C)SCCNC(=O)NCCC1CCCCCCC1 273464a_100000731138_100011532352 [0,0,0,1,0,1|2,0,0]=4 4114 B20R1.427017 CC(C)SCCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000731138 [0,0,0,1,0,1|2,0,0]=4 4115 B20R1.427017 CC(C)SCCNC(=O)NCCC1CCCCCCC1 512a_100000731138_100011532352 [0,0,0,1,0,1|2,0,0]=4 4116 B20R1.61541 CC(C)CC(C)NC(=O)CCCCCN1CCCCC1 11a_100000692259_100012051570 [0,1,0,1,0,0|2,0,0]=4 4117 B20R1.61541 CC(C)CC(C)NC(=O)CCCCCN1CCCCC1 240690a_100000692259_100012051570 [0,1,0,1,0,0|2,0,0]=4 4118 B20R1.201653 CCCCCCCCCCCC(=O)CS(=O)CC1CC1 1458a_100011387478_100011215454 [0,1,0,1,0,0|2,0,0]=4 4119 B20R1.689488 CC(C)CC(C)NC(=O)NCCC1CCCCCCC1 2708a_100000692259_100011532352 [0,1,0,1,0,0|2,0,0]=4 4120 B20R1.689488 CC(C)CC(C)NC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000692259 [0,1,0,1,0,0|2,0,0]=4 4121 B20R1.689488 CC(C)CC(C)NC(=O)NCCC1CCCCCCC1 273464a_100000692259_100011532352 [0,1,0,1,0,0|2,0,0]=4 4122 B20R1.689488 CC(C)CC(C)NC(=O)NCCC1CCCCCCC1 512a_100000692259_100011532352 [0,1,0,1,0,0|2,0,0]=4 4123 B20R1.788383 CCCCCCCCCCCC(=O)CC1CC(C1)(F)F 1458a_100000210736_100009886855 [0,1,0,1,0,0|2,0,0]=4 4124 B20R1.788383 CCCCCCCCCCCC(=O)CC1CC(C1)(F)F 1458a_100010381176_100011215454 [0,1,0,1,0,0|2,0,0]=4 4125 B20R1.788383 CCCCCCCCCCCC(=O)NC1CC(C1)(F)F 11a_100000756238_100000210736 [0,1,0,1,0,0|2,0,0]=4 4126 B20R1.788383 CCCCCCCCCCCC(=O)NC1CC(C1)(F)F 1626a_100000756238_100000210736 [0,1,0,1,0,0|2,0,0]=4 4127 B20R1.788383 CCCCCCCCCCCC(=O)NC1CC(C1)(F)F 240690a_100000756238_100000210736 [0,1,0,1,0,0|2,0,0]=4 4128 B20R1.788383 CCCCCCCCCCCC(=O)N[C@H]1C[C@@](C1)(C)O 11a_100121572536_100000210736 [0,1,0,1,0,0|1,0,0]=3 4129 B20R1.788383 CCCCCCCCCCCC(=O)N[C@H]1C[C@@](C1)(C)O 1626a_100121572536_100000210736 [0,1,0,1,0,0|1,0,0]=3 4130 B20R1.788383 CCCCCCCCCCCC(=O)N[C@H]1C[C@@](C1)(C)O 240690a_100121572536_100000210736 [0,1,0,1,0,0|1,0,0]=3 4131 B20R1.788383 CCCCCCCCCCNC(=O)N[C@H]1C[C@@](C1)(C)O 2708a_100000684558_100121572536 [0,1,0,1,0,0|2,0,0]=4 4132 B20R1.788383 CCCCCCCCCCNC(=O)N[C@H]1C[C@@](C1)(C)O 2708a_100121572536_100000684558 [0,1,0,1,0,0|2,0,0]=4 4133 B20R1.788383 CCCCCCCCCCNC(=O)N[C@H]1C[C@@](C1)(C)O 273464a_100000684558_100121572536 [0,1,0,1,0,0|2,0,0]=4 4134 B20R1.788383 CCCCCCCCCCNC(=O)N[C@H]1C[C@@](C1)(C)O 273464a_100121572536_100000684558 [0,1,0,1,0,0|2,0,0]=4 4135 B20R1.788383 CCCCCCCCCCNC(=O)N[C@H]1C[C@@](C1)(C)O 512a_100000684558_100121572536 [0,1,0,1,0,0|2,0,0]=4 4136 B20R1.788383 CCCCCCCCCCNC(=O)N[C@H]1C[C@@](C1)(C)O 512a_100121572536_100000684558 [0,1,0,1,0,0|2,0,0]=4 4137 B20R1.788383 C[C@@]1(C[C@H](C1)NC(=O)CCCCCCCCCCO)O 240690a_100121572536_200000016029 [0,1,0,1,0,0|2,0,0]=4 4138 B20R1.287 CCCCCCCCCCC=CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015291182 [0,1,0,1,0,0|1,0,1]=4 4139 B20R1.287 CCCCCCCCCCC=CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015291182 [0,1,0,1,0,0|1,0,1]=4 4140 B20R1.287 CCCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000759014 [0,1,0,1,0,0|2,0,0]=4 4141 B20R1.287 CCCCCCCCCCCCC(=O)C1CCN(C1)C 1458a_100000739633_100000759014 [0,1,0,1,0,0|2,0,0]=4 4142 B20R1.287 CCCCCCCCCCCCC(=O)N1CCC(C1)O 240690a_100011215560_100011215791 [0,1,0,1,0,0|2,0,0]=4 4143 B20R1.287 CCCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100011215791 [0,1,0,1,0,0|2,0,0]=4 4144 B20R1.287 CCCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100011215791 [0,1,0,1,0,0|2,0,0]=4 4145 B20R1.287 CCCCCCCCCCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100011215791 [0,1,0,1,0,0|2,0,0]=4 4146 B20R1.287 CCCCCCCCCCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100011215791 [0,1,0,1,0,0|1,0,0]=3 4147 B20R1.287 CCCCCCCCCCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100011215791 [0,1,0,1,0,0|1,0,0]=3 4148 B20R1.287 CCCCCCCCCCCNC(=O)C1CCC(C1)O 1626a_200011215754_100000688591 [0,1,0,1,0,0|2,0,0]=4 4149 B20R1.287 CCCCCCCCCCCNC(=O)C1CCC(C1)O 240690a_200011215754_100000688591 [0,1,0,1,0,0|2,0,0]=4 4150 B20R1.287 CCCCCCCCCCCNC(=O)C1CCN(C1)C 240690a_200011215754_100000739633 [0,1,0,1,0,0|2,0,0]=4 4151 B20R1.287 CCCCCCCCCCCNC(=O)C1CCN(C1)C 527a_200011215754_100000739633 [0,1,0,1,0,0|2,0,0]=4 4152 B20R1.287 CCCCCCCCCCCNC(=O)N1CCC(C1)O 2708a_200011215754_100011215560 [0,1,0,1,0,0|2,0,0]=4 4153 B20R1.287 CCCCCCCCCCCNC(=O)N1CCC(C1)O 273464a_200011215754_100011215560 [0,1,0,1,0,0|2,0,0]=4 4154 B20R1.287 CCCCCCCCCCCNC(=O)N1CC[C@@H](C1)F 2708a_200011215754_100015203821 [0,1,0,1,0,0|2,0,0]=4 4155 B20R1.287 CCCCCCCCCCCNC(=O)N1CC[C@@H](C1)F 273464a_200011215754_100015203821 [0,1,0,1,0,0|2,0,0]=4 4156 B20R1.287 CCCCCCCCCCCNC(=O)N1CC[C@H](C1)C 2708a_200011215754_100016987628 [0,1,0,1,0,0|1,0,0]=3 4157 B20R1.287 CCCCCCCCCCCNC(=O)N1CC[C@H](C1)C 273464a_200011215754_100016987628 [0,1,0,1,0,0|1,0,0]=3 4158 B20R1.287 CN1CCC(C1)C(=O)CCCCCCCCCCCO 1458a_100000739633_100009812471 [0,1,0,1,0,0|2,0,0]=4 4159 B20R1.287 C[C@@H]1CCN(C1)C(=O)CCCCCCCCCCCO 240690a_100016987628_100000037981 [0,1,0,1,0,0|1,0,0]=3 4160 B20R1.287 C[C@@H]1CCN(C1)C(=O)NCCCCCCCCCCO 2708a_100000066964_100016987628 [0,1,0,1,0,0|2,0,0]=4 4161 B20R1.287 C[C@@H]1CCN(C1)C(=O)NCCCCCCCCCCO 273464a_100000066964_100016987628 [0,1,0,1,0,0|2,0,0]=4 4162 B20R1.287 O=C(CCCCCCCCCCCO)C1CCC(C1)O 1458a_100000688591_100009812471 [0,1,0,1,0,0|2,0,0]=4 4163 B20R1.287 O=C(CCCCCCCCCCCO)N1CCC(C1)O 240690a_100011215560_100000037981 [0,1,0,1,0,0|2,0,0]=4 4164 B20R1.287 O=C(CCCCCCCCCCCO)N1CC[C@@H](C1)F 240690a_100015203821_100000037981 [0,1,0,1,0,0|2,0,0]=4 4165 B20R1.7019 CCC1CCCCN1CCCNC(=O)CCCC(C)C 11a_100011191702_100011216857 [0,1,0,1,0,0|2,0,0]=4 4166 B20R1.7019 CCC1CCCCN1CCCNC(=O)CCCC(C)C 1626a_100011191702_100011216857 [0,1,0,1,0,0|2,0,0]=4 4167 B20R1.7019 CCC1CCCCN1CCCNC(=O)CCCC(C)C 240690a_100011191702_100011216857 [0,1,0,1,0,0|2,0,0]=4 4168 B20R1.7019 CCC1CCCCN1CCCNC(=O)CCCC(C)C 527a_100011191702_100011216857 [0,1,0,1,0,0|2,0,0]=4 4169 B20R1.7019 CCC1CCCCN1CCCNC(=O)NCCC(C)C 2708a_100000210545_100011191702 [0,1,0,1,0,0|2,0,0]=4 4170 B20R1.7019 CCC1CCCCN1CCCNC(=O)NCCC(C)C 2708a_100011191702_100000210545 [0,1,0,1,0,0|2,0,0]=4 4171 B20R1.7019 CCC1CCCCN1CCCNC(=O)NCCC(C)C 273464a_100000210545_100011191702 [0,1,0,1,0,0|2,0,0]=4 4172 B20R1.7019 CCC1CCCCN1CCCNC(=O)NCCC(C)C 273464a_100011191702_100000210545 [0,1,0,1,0,0|2,0,0]=4 4173 B20R1.7019 CCC1CCCCN1CCCNC(=O)NCCC(C)C 512a_100000210545_100011191702 [0,1,0,1,0,0|2,0,0]=4 4174 B20R1.18844 CCCCCCCCCCCCC(=O)NC1CC(C1)F 11a_100016993743_100011215791 [0,1,0,1,0,0|2,0,0]=4 4175 B20R1.18844 CCCCCCCCCCCCC(=O)NC1CC(C1)F 1626a_100016993743_100011215791 [0,1,0,1,0,0|2,0,0]=4 4176 B20R1.18844 CCCCCCCCCCCCC(=O)NC1CC(C1)F 240690a_100016993743_100011215791 [0,1,0,1,0,0|2,0,0]=4 4177 B20R1.18844 CCCCCCCCCCCCC(=O)NC1CN(C1)C 240690a_100015196640_100011215791 [0,1,0,1,0,0|2,0,0]=4 4178 B20R1.18844 CCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100011215791 [0,1,0,1,0,0|2,0,0]=4 4179 B20R1.18844 CCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100011215791 [0,1,0,1,0,0|2,0,0]=4 4180 B20R1.18844 CCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100011215791 [0,1,0,1,0,0|2,0,0]=4 4181 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CC(C1)F 2708a_100016993743_200011215754 [0,1,0,1,0,0|2,0,0]=4 4182 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CC(C1)F 2708a_200011215754_100016993743 [0,1,0,1,0,0|2,0,0]=4 4183 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CC(C1)F 273464a_100016993743_200011215754 [0,1,0,1,0,0|2,0,0]=4 4184 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CC(C1)F 273464a_200011215754_100016993743 [0,1,0,1,0,0|2,0,0]=4 4185 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CC(C1)F 512a_100016993743_200011215754 [0,1,0,1,0,0|2,0,0]=4 4186 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CC(C1)F 512a_200011215754_100016993743 [0,1,0,1,0,0|2,0,0]=4 4187 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CN(C1)C 2708a_100015196640_200011215754 [0,1,0,1,0,0|2,0,0]=4 4188 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CN(C1)C 2708a_200011215754_100015196640 [0,1,0,1,0,0|2,0,0]=4 4189 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CN(C1)C 273464a_100015196640_200011215754 [0,1,0,1,0,0|2,0,0]=4 4190 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CN(C1)C 273464a_200011215754_100015196640 [0,1,0,1,0,0|2,0,0]=4 4191 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CN(C1)C 512a_100015196640_200011215754 [0,1,0,1,0,0|2,0,0]=4 4192 B20R1.18844 CCCCCCCCCCCNC(=O)NC1CN(C1)C 512a_200011215754_100015196640 [0,1,0,1,0,0|2,0,0]=4 4193 B20R1.18844 CCCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_200011215754_100020629032 [0,1,0,1,0,0|2,0,0]=4 4194 B20R1.18844 CCCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_200011215754 [0,1,0,1,0,0|2,0,0]=4 4195 B20R1.18844 CCCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_200011215754_100020629032 [0,1,0,1,0,0|2,0,0]=4 4196 B20R1.18844 CCCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_200011215754 [0,1,0,1,0,0|2,0,0]=4 4197 B20R1.18844 CCCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_200011215754_100020629032 [0,1,0,1,0,0|2,0,0]=4 4198 B20R1.18844 CN1CC(C1)NC(=O)CCCCCCCCCCCO 240690a_100015196640_100000037981 [0,1,0,1,0,0|2,0,0]=4 4199 B20R1.18844 O=C(CCCCCCCCCCCO)NC1CC(C1)F 240690a_100016993743_100000037981 [0,1,0,1,0,0|2,0,0]=4 4200 B20R1.18844 O=C(CCCCCCCCCCCO)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000037981 [0,1,0,1,0,0|2,0,0]=4 4201 B20R1.18846 CCCCCCCCCCC=CC(=O)NCCC1CC1 1626a_100000764129_100015291182 [0,1,0,1,0,0|1,0,1]=4 4202 B20R1.18846 CCCCCCCCCCC=CC(=O)NCCC1CC1 240690a_100000764129_100015291182 [0,1,0,1,0,0|1,0,1]=4 4203 B20R1.18846 CCCCCCCCCCCCC(=O)NCCC1CC1 1626a_100000764129_100011215791 [0,1,0,1,0,0|1,0,0]=3 4204 B20R1.18846 CCCCCCCCCCCCC(=O)NCCC1CC1 240690a_100000764129_100011215791 [0,1,0,1,0,0|1,0,0]=3 4205 B20R1.18846 CCCCCCCCCCCCC(=O)NNCC1CC1 22a_100000736359_100011215791 [0,1,0,1,0,0|2,0,0]=4 4206 B20R1.18846 CCCCCCCCCCCNC(=O)CSCC1CC1 11a_200011215754_200011316215 [0,1,0,1,0,0|2,0,0]=4 4207 B20R1.18846 CCCCCCCCCCCNC(=O)CSCC1CC1 1626a_200011215754_200011316215 [0,1,0,1,0,0|2,0,0]=4 4208 B20R1.18846 CCCCCCCCCCCNC(=O)CSCC1CC1 240690a_200011215754_200011316215 [0,1,0,1,0,0|2,0,0]=4 4209 B20R1.18846 CCCCCCCCCCCNC(=O)CSCC1CC1 527a_200011215754_200011316215 [0,1,0,1,0,0|2,0,0]=4 4210 B20R1.18846 CCCCCCCCCCCNC(=O)NCCC1CC1 2708a_100000764129_200011215754 [0,1,0,1,0,0|1,0,0]=3 4211 B20R1.18846 CCCCCCCCCCCNC(=O)NCCC1CC1 2708a_200011215754_100000764129 [0,1,0,1,0,0|1,0,0]=3 4212 B20R1.18846 CCCCCCCCCCCNC(=O)NCCC1CC1 273464a_100000764129_200011215754 [0,1,0,1,0,0|1,0,0]=3 4213 B20R1.18846 CCCCCCCCCCCNC(=O)NCCC1CC1 273464a_200011215754_100000764129 [0,1,0,1,0,0|1,0,0]=3 4214 B20R1.18846 CCCCCCCCCCCNC(=O)NCCC1CC1 512a_100000764129_200011215754 [0,1,0,1,0,0|1,0,0]=3 4215 B20R1.18846 CCCCCCCCCCCNC(=O)NCCC1CC1 512a_200011215754_100000764129 [0,1,0,1,0,0|1,0,0]=3 4216 B20R1.18846 CCCCCCCCCCCNC(=O)NNCC1CC1 273464a_200011215754_100000736359 [0,1,0,1,0,0|2,0,0]=4 4217 B20R1.18846 CCCCCCCCCCCNC(=O)NNCC1CC1 512a_100000736359_200011215754 [0,1,0,1,0,0|2,0,0]=4 4218 B20R1.18846 CCCCCCCCCCCNC(=O)NNCC1CC1 512a_200011215754_100000736359 [0,1,0,1,0,0|2,0,0]=4 4219 B20R1.18846 O=C(CCCCCCCCCCCO)NCCC1CC1 240690a_100000764129_100000037981 [0,1,0,1,0,0|1,0,0]=3 4220 B20R1.18846 O=C(CCCCCCCCCCCO)NNCC1CC1 22a_100000736359_100000037981 [0,1,0,1,0,0|2,0,0]=4 4221 B20R1.18846 O=C(NCCCCCCCCCCO)NCCC1CC1 2708a_100000066964_100000764129 [0,1,0,1,0,0|2,0,0]=4 4222 B20R1.18846 O=C(NCCCCCCCCCCO)NCCC1CC1 2708a_100000764129_100000066964 [0,1,0,1,0,0|2,0,0]=4 4223 B20R1.18846 O=C(NCCCCCCCCCCO)NCCC1CC1 273464a_100000066964_100000764129 [0,1,0,1,0,0|2,0,0]=4 4224 B20R1.18846 O=C(NCCCCCCCCCCO)NCCC1CC1 273464a_100000764129_100000066964 [0,1,0,1,0,0|2,0,0]=4 4225 B20R1.18846 O=C(NCCCCCCCCCCO)NCCC1CC1 512a_100000066964_100000764129 [0,1,0,1,0,0|2,0,0]=4 4226 B20R1.18846 O=C(NCCCCCCCCCCO)NCCC1CC1 512a_100000764129_100000066964 [0,1,0,1,0,0|2,0,0]=4 4227 B20R1.31063 CC(C)CCCC(=O)NCCCCCN1CCCCC1 240690a_100000754421_100011216857 [0,1,0,1,0,0|2,0,0]=4 4228 B20R1.31063 CC(C)CCCC(=O)NCCCCCN1CCCCC1 527a_100000754421_100011216857 [0,1,0,1,0,0|2,0,0]=4 4229 B20R1.31063 CC(C)CCNC(=O)NCCCCCN1CCCCC1 2708a_100000210545_100000754421 [0,1,0,1,0,0|2,0,0]=4 4230 B20R1.31063 CC(C)CCNC(=O)NCCCCCN1CCCCC1 2708a_100000754421_100000210545 [0,1,0,1,0,0|2,0,0]=4 4231 B20R1.31063 CC(C)CCNC(=O)NCCCCCN1CCCCC1 273464a_100000210545_100000754421 [0,1,0,1,0,0|2,0,0]=4 4232 B20R1.31063 CC(C)CCNC(=O)NCCCCCN1CCCCC1 273464a_100000754421_100000210545 [0,1,0,1,0,0|2,0,0]=4 4233 B20R1.31063 CC(C)CCNC(=O)NCCCCCN1CCCCC1 512a_100000210545_100000754421 [0,1,0,1,0,0|2,0,0]=4 4234 B20R1.31063 CC(C)CCNC(=O)NCCCCCN1CCCCC1 512a_100000754421_100000210545 [0,1,0,1,0,0|2,0,0]=4 4235 B20R1.423950 CC(C)CCCC(=O)NCCCCN1CCCCCC1 1626a_100011207362_100011216857 [0,1,0,1,0,0|2,0,0]=4 4236 B20R1.423950 CC(C)CCCC(=O)NCCCCN1CCCCCC1 240690a_100011207362_100011216857 [0,1,0,1,0,0|2,0,0]=4 4237 B20R1.423950 CC(C)CCCC(=O)NCCCCN1CCCCCC1 527a_100011207362_100011216857 [0,1,0,1,0,0|2,0,0]=4 4238 B20R1.423950 CC(C)CCNC(=O)NCCCCN1CCCCCC1 2708a_100000210545_100011207362 [0,1,0,1,0,0|2,0,0]=4 4239 B20R1.423950 CC(C)CCNC(=O)NCCCCN1CCCCCC1 2708a_100011207362_100000210545 [0,1,0,1,0,0|2,0,0]=4 4240 B20R1.423950 CC(C)CCNC(=O)NCCCCN1CCCCCC1 273464a_100000210545_100011207362 [0,1,0,1,0,0|2,0,0]=4 4241 B20R1.423950 CC(C)CCNC(=O)NCCCCN1CCCCCC1 273464a_100011207362_100000210545 [0,1,0,1,0,0|2,0,0]=4 4242 B20R1.423950 CC(C)CCNC(=O)NCCCCN1CCCCCC1 512a_100000210545_100011207362 [0,1,0,1,0,0|2,0,0]=4 4243 B20R1.257 CCCCCCCCCC(O)CC(=O)N1CCC(C1)O 240690a_100011215560_200012339438 [0,1,0,1,0,0|2,0,0]=4 4244 B20R1.257 CCCCCCCCCC(O)CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_200012339438 [0,1,0,1,0,0|2,0,0]=4 4245 B20R1.257 CCCCCCCCCC(O)CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_200012339438 [0,1,0,1,0,0|2,0,0]=4 4246 B20R1.257 CCCCCCCCCC(O)CC(=O)N1CC[C@H](C1)C 240690a_100016987628_200012339438 [0,1,0,1,0,0|1,0,0]=3 4247 B20R1.17349 CCCCCCCCCC(O)CC(=O)NC1CC(C1)F 1626a_100016993743_200012339438 [0,1,0,1,0,0|2,0,0]=4 4248 B20R1.17349 CCCCCCCCCC(O)CC(=O)NC1CC(C1)F 240690a_100016993743_200012339438 [0,1,0,1,0,0|2,0,0]=4 4249 B20R1.17349 CCCCCCCCCC(O)CC(=O)NC1CN(C1)C 240690a_100015196640_200012339438 [0,1,0,1,0,0|2,0,0]=4 4250 B20R1.17349 CCCCCCCCCC(O)CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_200012339438 [0,1,0,1,0,0|2,0,0]=4 4251 B20R1.17349 CCCCCCCCCC(O)CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_200012339438 [0,1,0,1,0,0|2,0,0]=4 4252 B20R1.17351 CCCCCCCCCC(O)CC(=O)NCCC1CC1 1626a_100000764129_200012339438 [0,1,0,1,0,0|1,0,0]=3 4253 B20R1.17351 CCCCCCCCCC(O)CC(=O)NCCC1CC1 240690a_100000764129_200012339438 [0,1,0,1,0,0|1,0,0]=3 4254 B20R1.17351 CCCCCCCCCC(O)CC(=O)NNCC1CC1 22a_100000736359_200012339438 [0,1,0,1,0,0|2,0,0]=4 4255 B20R1.698 CC1CCN(CC1)C(=O)CCCCCCCCCCO 240690a_100000188429_200000016029 [0,1,0,1,0,0|2,0,0]=4 4256 B20R1.698 CCCCCCCCCCCC(=O)C1CCC(CC1)O 1458a_100000743365_100011215454 [0,1,0,1,0,0|2,0,0]=4 4257 B20R1.698 CCCCCCCCCCCC(=O)C1CCN(CC1)C 1458a_100000743488_100011215454 [0,1,0,1,0,0|2,0,0]=4 4258 B20R1.698 CCCCCCCCCCCC(=O)N1CC=C(CC1)C 11a_100000693516_100000210736 [0,1,0,1,0,0|1,0,1]=4 4259 B20R1.698 CCCCCCCCCCCC(=O)N1CC=C(CC1)C 1626a_100000693516_100000210736 [0,1,0,1,0,0|1,0,1]=4 4260 B20R1.698 CCCCCCCCCCCC(=O)N1CC=C(CC1)C 240690a_100000693516_100000210736 [0,1,0,1,0,0|1,0,1]=4 4261 B20R1.698 CCCCCCCCCCCC(=O)N1CCC(CC1)C 240690a_100000188429_100000210736 [0,1,0,1,0,0|1,0,0]=3 4262 B20R1.698 CCCCCCCCCCCC(=O)N1CCC(CC1)F 11a_100015193889_100000210736 [0,1,0,1,0,0|2,0,0]=4 4263 B20R1.698 CCCCCCCCCCCC(=O)N1CCC(CC1)F 1626a_100015193889_100000210736 [0,1,0,1,0,0|2,0,0]=4 4264 B20R1.698 CCCCCCCCCCCC(=O)N1CCC(CC1)F 240690a_100015193889_100000210736 [0,1,0,1,0,0|2,0,0]=4 4265 B20R1.698 CCCCCCCCCCCC(=O)N1CCC(CC1)O 240690a_100025773856_100000210736 [0,1,0,1,0,0|2,0,0]=4 4266 B20R1.698 CCCCCCCCCCCC(=O)N1CCN(CC1)C 11a_100000188432_100000210736 [0,1,0,1,0,0|2,0,0]=4 4267 B20R1.698 CCCCCCCCCCCC(=O)N1CCN(CC1)C 240690a_100000188432_100000210736 [0,1,0,1,0,0|2,0,0]=4 4268 B20R1.698 CCCCCCCCCCNC(=O)N1CCC(CC1)C 2708a_100000684558_100000188429 [0,1,0,1,0,0|2,0,0]=4 4269 B20R1.698 CCCCCCCCCCNC(=O)N1CCC(CC1)C 273464a_100000684558_100000188429 [0,1,0,1,0,0|2,0,0]=4 4270 B20R1.698 CCCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C 11a_100000684558_100009815934 [0,1,0,1,0,0|2,0,0]=4 4271 B20R1.698 CCCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C 1626a_100000684558_100009815934 [0,1,0,1,0,0|2,0,0]=4 4272 B20R1.698 CCCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C 240690a_100000684558_100009815934 [0,1,0,1,0,0|2,0,0]=4 4273 B20R1.698 CCCCCCCCCCNC(=O)[C@H]1CC[C@@H](CC1)C 527a_100000684558_100009815934 [0,1,0,1,0,0|2,0,0]=4 4274 B20R1.698 CCCCCCCCCNCC(=O)N1CCC(CC1)C 2230a_100000212291_100000182867 [0,1,0,1,0,0|2,0,0]=4 4275 B20R1.698 CCCCCCCCCNCC(=O)N1CCC(CC1)C 34a_100000212291_100000182867 [0,1,0,1,0,0|2,0,0]=4 4276 B20R1.698 CCCCCCCCCOCC(=O)N1CCC(CC1)C 34a_100000210712_100000182867 [0,1,0,1,0,0|2,0,0]=4 4277 B20R1.698 CCCCCCCCCOCC(=O)N1CCC(CC1)C 7a_100000210712_100000182867 [0,1,0,1,0,0|2,0,0]=4 4278 B20R1.698 CCCCCCCCCSCC(=O)N1CCC(CC1)C 62a_100000182867_100000210670 [0,1,0,1,0,0|2,0,0]=4 4279 B20R1.698 CCCCCCCCNCCC(=O)N1CCC(CC1)C 2230a_100000229939_100011194420 [0,1,0,1,0,0|2,0,0]=4 4280 B20R1.698 CCCCCCCCNCCC(=O)N1CCC(CC1)C 34a_100000229939_100011194420 [0,1,0,1,0,0|2,0,0]=4 4281 B20R1.698 CCCCCCCCOCCC(=O)N1CCC(CC1)C 34a_100000210232_100011194420 [0,1,0,1,0,0|2,0,0]=4 4282 B20R1.698 CCCCCCCCOCCC(=O)N1CCC(CC1)C 7a_100000210232_100011194420 [0,1,0,1,0,0|2,0,0]=4 4283 B20R1.698 CCCCCCCCSCCC(=O)N1CCC(CC1)C 62a_100000210759_100011194420 [0,1,0,1,0,0|2,0,0]=4 4284 B20R1.698 CCCCCCCCSCCC(=O)N1CCC(CC1)C 62a_100011194420_100000210317 [0,1,0,1,0,0|2,0,0]=4 4285 B20R1.698 C[C@H]1CC[C@@H](CC1)C(=O)CCCCCCCCCCO 1458a_100009815934_100009813290 [0,1,0,1,0,0|2,0,0]=4 4286 B20R1.56025 CC(CO)CCNC(=O)CCCCCN1CCCCC1 240690a_106354213184_100012051570 [0,1,0,1,0,0|2,0,0]=4 4287 B20R1.56025 CCC(C)CCNC(=O)CCCCCN1CCCCC1 11a_100020591266_100012051570 [0,1,0,1,0,0|2,0,0]=4 4288 B20R1.56025 CCC(C)CCNC(=O)CCCCCN1CCCCC1 240690a_100020591266_100012051570 [0,1,0,1,0,0|2,0,0]=4 4289 B20R1.68694 CCCCCCCCCCCC(=O)OCN1CCC1C 269982a_100000755817_100020644155 [0,1,0,1,0,0|1,0,0]=3 4290 B20R1.68694 CCCCCCCCCCCC(=O)OCN1CCC1C 34a_100000755817_100020644155 [0,1,0,1,0,0|1,0,0]=3 4291 B20R1.68696 CCCCCCCCCCCC(=O)C1CCN(C1)CC 1458a_100103286618_100011215454 [0,1,0,1,0,0|2,0,0]=4 4292 B20R1.68696 CCCCCCCCCCCC(=O)N1CCC(C1)C#N 11a_100016989334_100000210736 [0,1,0,1,0,0|1,0,1]=4 4293 B20R1.68696 CCCCCCCCCCCC(=O)N1CCC(C1)C#N 1626a_100016989334_100000210736 [0,1,0,1,0,0|1,0,1]=4 4294 B20R1.68696 CCCCCCCCCCCC(=O)N1CCC(C1)C#N 240690a_100016989334_100000210736 [0,1,0,1,0,0|1,0,1]=4 4295 B20R1.68696 CCCCCCCCCCCC(=O)N1CCC(C1)CO 240690a_100000748654_100000210736 [0,1,0,1,0,0|1,0,0]=3 4296 B20R1.68696 CCCCCCCCCCCC(=O)N1CC[C@H](C1)OC 11a_100000766984_100000210736 [0,1,0,1,0,0|1,0,0]=3 4297 B20R1.68696 CCCCCCCCCCCC(=O)N1CC[C@H](C1)OC 1626a_100000766984_100000210736 [0,1,0,1,0,0|1,0,0]=3 4298 B20R1.68696 CCCCCCCCCCCC(=O)N1CC[C@H](C1)OC 240690a_100000766984_100000210736 [0,1,0,1,0,0|1,0,0]=3 4299 B20R1.68696 CCCCCCCCCCNC(=O)N1CCC(C1)CO 2708a_100000684558_100000748654 [0,1,0,1,0,0|2,0,0]=4 4300 B20R1.68696 CCCCCCCCCCNC(=O)N1CCC(C1)CO 273464a_100000684558_100000748654 [0,1,0,1,0,0|2,0,0]=4 4301 B20R1.68696 CCCCCCCCCCNC(=O)N1CC[C@H](C1)OC 2708a_100000684558_100000766984 [0,1,0,1,0,0|2,0,0]=4 4302 B20R1.68696 CCCCCCCCCCNC(=O)N1CC[C@H](C1)OC 273464a_100000684558_100000766984 [0,1,0,1,0,0|2,0,0]=4 4303 B20R1.68696 CO[C@@H]1CCN(C1)C(=O)CCCCCCCCCCO 240690a_100000766984_200000016029 [0,1,0,1,0,0|2,0,0]=4 4304 B20R1.68696 O=C(CCCCCCCCCCO)N1CCC(C1)CO 240690a_100000748654_200000016029 [0,1,0,1,0,0|2,0,0]=4 4305 B20R1.68700 CCCCCCCCCCCC(=O)NCCN1CCC1 240690a_100000691440_100000210736 [0,1,0,1,0,0|2,0,0]=4 4306 B20R1.68700 CCCCCCCCCCCC(=O)NNCC1CCC1 22a_200020586977_100000210736 [0,1,0,1,0,0|2,0,0]=4 4307 B20R1.68700 CCCCCCCCCCCC(=O)OCCN1CCC1 269982a_100000754969_100000091854 [0,1,0,1,0,0|1,0,0]=3 4308 B20R1.68700 CCCCCCCCCCCC(=O)OCNC1CCC1 2230a_100000749019_100020644155 [0,1,0,1,0,0|1,0,0]=3 4309 B20R1.68700 CCCCCCCCCCCC(=O)OCNC1CCC1 34a_100000749019_100020644155 [0,1,0,1,0,0|1,0,0]=3 4310 B20R1.68700 CCCCCCCCCCCC(=O)OCNC1COC1 2230a_100016991112_100020644155 [0,1,0,1,0,0|1,0,0]=3 4311 B20R1.68700 CCCCCCCCCCCC(=O)OCOC1CCC1 34a_100000748187_100020644155 [0,1,0,1,0,0|1,0,0]=3 4312 B20R1.68700 CCCCCCCCCCCC(=O)OCOC1CSC1 7a_100000072292_100020644155 [0,1,0,1,0,0|1,0,0]=3 4313 B20R1.277406 CCCCCCCCCCCC(=O)OCNC1(CC1)C 2230a_100000757604_100020644155 [0,1,0,1,0,0|1,0,0]=3 4314 B20R1.277406 CCCCCCCCCCCC(=O)OCOC1(CC1)C 7a_100011725673_100020644155 [0,1,0,1,0,0|1,0,0]=3 4315 B20R1.702205 CC(CO)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_106354213184 [0,1,0,1,0,0|2,0,0]=4 4316 B20R1.702205 CC(CO)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_106354213184 [0,1,0,1,0,0|2,0,0]=4 4317 B20R1.702205 CC(CO)CCNC(=O)NCCC1CCCCCCC1 273464a_106354213184_100011532352 [0,1,0,1,0,0|2,0,0]=4 4318 B20R1.702205 CC(CO)CCNC(=O)NCCC1CCCCCCC1 512a_106354213184_100011532352 [0,1,0,1,0,0|2,0,0]=4 4319 B20R1.702205 CCC(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100020591266 [0,1,0,1,0,0|2,0,0]=4 4320 B20R1.702205 CCC(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100020591266_100011532352 [0,1,0,1,0,0|2,0,0]=4 4321 B20R1.702205 CCC(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100020591266 [0,1,0,1,0,0|2,0,0]=4 4322 B20R1.702205 CCC(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100020591266_100011532352 [0,1,0,1,0,0|2,0,0]=4 4323 B20R1.702205 CCC(C)CCNC(=O)NCCC1CCCCCCC1 512a_100020591266_100011532352 [0,1,0,1,0,0|2,0,0]=4 4324 B20R1.788384 CCCCCCCCCCCC(=O)NC1CC(C1)CO 240690a_100000095622_100000210736 [0,1,0,1,0,0|1,0,0]=3 4325 B20R1.788384 CCCCCCCCCCCC(=O)NC1CN(C1)CC 11a_200015199589_100000210736 [0,1,0,1,0,0|2,0,0]=4 4326 B20R1.788384 CCCCCCCCCCCC(=O)NC1CN(C1)CC 1626a_200015199589_100000210736 [0,1,0,1,0,0|2,0,0]=4 4327 B20R1.788384 CCCCCCCCCCCC(=O)NC1CN(C1)CC 240690a_200015199589_100000210736 [0,1,0,1,0,0|2,0,0]=4 4328 B20R1.788384 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 11a_100121570643_100000210736 [0,1,0,1,0,0|1,0,0]=3 4329 B20R1.788384 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 1626a_100121570643_100000210736 [0,1,0,1,0,0|1,0,0]=3 4330 B20R1.788384 CCCCCCCCCCCC(=O)N[C@H]1C[C@@H](C1)OC 240690a_100121570643_100000210736 [0,1,0,1,0,0|1,0,0]=3 4331 B20R1.788384 CCCCCCCCCCNC(=O)NC1CC(C1)CO 2708a_100000684558_100000095622 [0,1,0,1,0,0|2,0,0]=4 4332 B20R1.788384 CCCCCCCCCCNC(=O)NC1CC(C1)CO 273464a_100000095622_100000684558 [0,1,0,1,0,0|2,0,0]=4 4333 B20R1.788384 CCCCCCCCCCNC(=O)NC1CC(C1)CO 273464a_100000684558_100000095622 [0,1,0,1,0,0|2,0,0]=4 4334 B20R1.788384 CCCCCCCCCCNC(=O)NC1CC(C1)CO 512a_100000684558_100000095622 [0,1,0,1,0,0|2,0,0]=4 4335 B20R1.788384 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)OC 2708a_100000684558_100121570643 [0,1,0,1,0,0|2,0,0]=4 4336 B20R1.788384 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)OC 2708a_100121570643_100000684558 [0,1,0,1,0,0|2,0,0]=4 4337 B20R1.788384 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)OC 273464a_100000684558_100121570643 [0,1,0,1,0,0|2,0,0]=4 4338 B20R1.788384 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)OC 273464a_100121570643_100000684558 [0,1,0,1,0,0|2,0,0]=4 4339 B20R1.788384 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)OC 512a_100000684558_100121570643 [0,1,0,1,0,0|2,0,0]=4 4340 B20R1.788384 CCCCCCCCCCNC(=O)N[C@H]1C[C@@H](C1)OC 512a_100121570643_100000684558 [0,1,0,1,0,0|2,0,0]=4 4341 B20R1.788384 CO[C@H]1C[C@@H](C1)NC(=O)CCCCCCCCCCO 240690a_100121570643_200000016029 [0,1,0,1,0,0|2,0,0]=4 4342 B20R1.788384 O=C(CCCCCCCCCCO)NC1CC(C1)CO 240690a_100000095622_200000016029 [0,1,0,1,0,0|2,0,0]=4 4343 B20R1.31571 CC(C)(C)CCNC(=O)CCCCCN1CCCCC1 11a_100000738805_100012051570 [0,1,0,1,0,0|2,0,0]=4 4344 B20R1.31571 CC(C)(C)CCNC(=O)CCCCCN1CCCCC1 240690a_100000738805_100012051570 [0,1,0,1,0,0|2,0,0]=4 4345 B20R1.31571 CC(C)(F)CCNC(=O)CCCCCN1CCCCC1 11a_100016253952_100012051570 [0,1,0,1,0,0|2,0,0]=4 4346 B20R1.31571 CC(C)(F)CCNC(=O)CCCCCN1CCCCC1 240690a_100016253952_100012051570 [0,1,0,1,0,0|2,0,0]=4 4347 B20R1.429578 CC(C)(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100000738805_100011532352 [0,1,0,1,0,0|2,0,0]=4 4348 B20R1.429578 CC(C)(C)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000738805 [0,1,0,1,0,0|2,0,0]=4 4349 B20R1.429578 CC(C)(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100000738805_100011532352 [0,1,0,1,0,0|2,0,0]=4 4350 B20R1.429578 CC(C)(C)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000738805 [0,1,0,1,0,0|2,0,0]=4 4351 B20R1.429578 CC(C)(C)CCNC(=O)NCCC1CCCCCCC1 512a_100000738805_100011532352 [0,1,0,1,0,0|2,0,0]=4 4352 B20R1.429578 CC(C)(F)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100016253952 [0,1,0,1,0,0|2,0,0]=4 4353 B20R1.429578 CC(C)(F)CCNC(=O)NCCC1CCCCCCC1 2708a_100016253952_100011532352 [0,1,0,1,0,0|2,0,0]=4 4354 B20R1.429578 CC(C)(F)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100016253952 [0,1,0,1,0,0|2,0,0]=4 4355 B20R1.429578 CC(C)(F)CCNC(=O)NCCC1CCCCCCC1 273464a_100016253952_100011532352 [0,1,0,1,0,0|2,0,0]=4 4356 B20R1.429578 CC(C)(F)CCNC(=O)NCCC1CCCCCCC1 512a_100016253952_100011532352 [0,1,0,1,0,0|2,0,0]=4 4357 B20R1.429578 CC(C)(O)CCNC(=O)NCCC1CCCCCCC1 2708a_100000707701_100011532352 [0,1,0,1,0,0|2,0,0]=4 4358 B20R1.429578 CC(C)(O)CCNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000707701 [0,1,0,1,0,0|2,0,0]=4 4359 B20R1.429578 CC(C)(O)CCNC(=O)NCCC1CCCCCCC1 273464a_100000707701_100011532352 [0,1,0,1,0,0|2,0,0]=4 4360 B20R1.429578 CC(C)(O)CCNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000707701 [0,1,0,1,0,0|2,0,0]=4 4361 B20R1.429578 CC(C)(O)CCNC(=O)NCCC1CCCCCCC1 512a_100000707701_100011532352 [0,1,0,1,0,0|2,0,0]=4 4362 B20R1.788340 CC1(CCN(C1)C(=O)CCCCCCCCCCO)C 240690a_100000764714_200000016029 [0,1,0,1,0,0|2,0,0]=4 4363 B20R1.788340 CC1(CCN(C1)C(=O)CCCCCCCCCCO)O 240690a_100000718628_200000016029 [0,1,0,1,0,0|2,0,0]=4 4364 B20R1.788340 CCCCCCCCCCCC(=O)C1CCC(C1)(F)F 1458a_100000696201_100011215454 [0,1,0,1,0,0|2,0,0]=4 4365 B20R1.788340 CCCCCCCCCCCC(=O)C1COC(O1)(C)C 1458a_100015188449_100011215454 [0,1,0,1,0,0|2,0,0]=4 4366 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(C)C 11a_100000764714_100000210736 [0,1,0,1,0,0|1,0,0]=3 4367 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(C)C 1626a_100000764714_100000210736 [0,1,0,1,0,0|1,0,0]=3 4368 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(C)C 240690a_100000764714_100000210736 [0,1,0,1,0,0|1,0,0]=3 4369 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(C)O 11a_100000718628_100000210736 [0,1,0,1,0,0|1,0,0]=3 4370 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(C)O 240690a_100000718628_100000210736 [0,1,0,1,0,0|1,0,0]=3 4371 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(F)F 11a_100000697292_100000210736 [0,1,0,1,0,0|2,0,0]=4 4372 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(F)F 1626a_100000697292_100000210736 [0,1,0,1,0,0|2,0,0]=4 4373 B20R1.788340 CCCCCCCCCCCC(=O)N1CCC(C1)(F)F 240690a_100000697292_100000210736 [0,1,0,1,0,0|2,0,0]=4 4374 B20R1.788340 CCCCCCCCCCNC(=O)N1CCC(C1)(C)C 2708a_100000684558_100000764714 [0,1,0,1,0,0|2,0,0]=4 4375 B20R1.788340 CCCCCCCCCCNC(=O)N1CCC(C1)(C)C 273464a_100000684558_100000764714 [0,1,0,1,0,0|2,0,0]=4 4376 B20R1.788340 CCCCCCCCCCNC(=O)N1CCC(C1)(C)O 2708a_100000684558_100000718628 [0,1,0,1,0,0|2,0,0]=4 4377 B20R1.788340 CCCCCCCCCCNC(=O)N1CCC(C1)(C)O 273464a_100000684558_100000718628 [0,1,0,1,0,0|2,0,0]=4 4378 B20R1.61580 CC(C)CCC(C)C(=O)CCCCCN1CCCCC1 1458a_100012051570_100011261404 [0,1,0,1,0,0|2,0,0]=4 4379 B20R1.61580 CC(C)CCN(C)C(=O)CCCCCN1CCCCC1 11a_100000742789_100012051570 [0,1,0,1,0,0|2,0,0]=4 4380 B20R1.61580 CC(C)CCN(C)C(=O)CCCCCN1CCCCC1 240690a_100000742789_100012051570 [0,1,0,1,0,0|2,0,0]=4 4381 B20R1.689592 CC(C)CCN(C)C(=O)NCCC1CCCCCCC1 2708a_100011532352_100000742789 [0,1,0,1,0,0|2,0,0]=4 4382 B20R1.689592 CC(C)CCN(C)C(=O)NCCC1CCCCCCC1 273464a_100011532352_100000742789 [0,1,0,1,0,0|2,0,0]=4 4383 B20R1.788324 CCCCCCCCCCCC(=O)C1CN(C1)C(C)C 1458a_100011935012_100011215454 [0,1,0,1,0,0|2,0,0]=4 4384 B20R1.788324 CCCCCCCCCCCC(=O)N1CC(C1)N(C)C 240690a_100000694738_100000210736 [0,1,0,1,0,0|2,0,0]=4 4385 B20R1.788370 CCCCCCCCCCCC(=O)C1(CCN(C1)C)C 1458a_100011814562_100011215454 [0,1,0,1,0,0|2,0,0]=4 4386 B20R1.31085 CC(C)C(O)CNC(=O)CCCCCN1CCCCC1 11a_100000759067_100012051570 [0,1,0,1,0,0|2,0,0]=4 4387 B20R1.31085 CC(C)C(O)CNC(=O)CCCCCN1CCCCC1 240690a_100000759067_100012051570 [0,1,0,1,0,0|2,0,0]=4 4388 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@@H]([C@H](C1)F)O 11a_100020590056_100000210736 [0,1,0,1,0,0|2,0,0]=4 4389 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@@H]([C@H](C1)F)O 240690a_100020590056_100000210736 [0,1,0,1,0,0|2,0,0]=4 4390 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)F)F 11a_100103146936_100000210736 [0,1,0,1,0,0|2,0,0]=4 4391 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)F)F 1626a_100103146936_100000210736 [0,1,0,1,0,0|2,0,0]=4 4392 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)F)F 240690a_100103146936_100000210736 [0,1,0,1,0,0|2,0,0]=4 4393 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100000210736 [0,1,0,1,0,0|1,0,0]=3 4394 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100000210736 [0,1,0,1,0,0|1,0,0]=3 4395 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)O)O 11a_100015207562_100000210736 [0,1,0,1,0,0|2,0,0]=4 4396 B20R1.68698 CCCCCCCCCCCC(=O)N1C[C@H]([C@H](C1)O)O 240690a_100015207562_100000210736 [0,1,0,1,0,0|2,0,0]=4 4397 B20R1.68698 CCCCCCCCCCNC(=O)N1C[C@H]([C@H](C1)O)C 2708a_100000684558_200015306588 [0,1,0,1,0,0|2,0,0]=4 4398 B20R1.68698 CCCCCCCCCCNC(=O)N1C[C@H]([C@H](C1)O)C 273464a_100000684558_200015306588 [0,1,0,1,0,0|2,0,0]=4 4399 B20R1.68698 C[C@@H]1CN(C[C@@H]1O)C(=O)CCCCCCCCCCO 240690a_200015306588_200000016029 [0,1,0,1,0,0|2,0,0]=4 4400 B20R1.424175 CC(C)C(O)CNC(=O)NCCC1CCCCCCC1 2708a_100011532352_100000759067 [0,1,0,1,0,0|2,0,0]=4 4401 B20R1.424175 CC(C)C(O)CNC(=O)NCCC1CCCCCCC1 273464a_100000759067_100011532352 [0,1,0,1,0,0|2,0,0]=4 4402 B20R1.424175 CC(C)C(O)CNC(=O)NCCC1CCCCCCC1 273464a_100011532352_100000759067 [0,1,0,1,0,0|2,0,0]=4 4403 B20R1.424175 CC(C)C(O)CNC(=O)NCCC1CCCCCCC1 512a_100000759067_100011532352 [0,1,0,1,0,0|2,0,0]=4 4404 B20R1.440078 CCCCCCCCCCCC(=O)COC(C)C1CC1 1458a_200000137917_100011215454 [0,1,0,1,0,0|2,0,0]=4 4405 B20R1.440078 CCCCCCCCCCCC(=O)NCC(O)C1CC1 11a_100000751198_100000210736 [0,1,0,1,0,0|1,0,0]=3 4406 B20R1.440078 CCCCCCCCCCCC(=O)NCC(O)C1CC1 240690a_100000751198_100000210736 [0,1,0,1,0,0|1,0,0]=3 4407 B20R1.440078 CCCCCCCCCCCC(=O)OCC(=O)C1CC1 1458a_100000210395_100020644155 [0,1,0,1,0,0|0,0,1]=3 4408 B20R1.440078 CCCCCCCCCCCC(=O)OCC(=O)C1CO1 1458a_100000701028_100020644155 [0,1,0,1,0,0|1,0,1]=4 4409 B20R1.440078 CCCCCCCCCCCC(=O)OCN(C)C1CC1 2230a_100000226674_100020644155 [0,1,0,1,0,0|1,0,0]=3 4410 B20R1.440078 CCCCCCCCCCCC(=O)OCN(C)C1CC1 269982a_100000226674_100020644155 [0,1,0,1,0,0|1,0,0]=3 4411 B20R1.440078 CCCCCCCCCCNC(=O)NCC(O)C1CC1 2708a_100000684558_100000751198 [0,1,0,1,0,0|2,0,0]=4 4412 B20R1.440078 CCCCCCCCCCNC(=O)NCC(O)C1CC1 273464a_100000684558_100000751198 [0,1,0,1,0,0|2,0,0]=4 4413 B20R1.440078 CCCCCCCCCCNC(=O)NCC(O)C1CC1 273464a_100000751198_100000684558 [0,1,0,1,0,0|2,0,0]=4 4414 B20R1.440078 CCCCCCCCCCNC(=O)NCC(O)C1CC1 512a_100000684558_100000751198 [0,1,0,1,0,0|2,0,0]=4 4415 B20R1.440078 O=C(CCCCCCCCCCO)NCC(O)C1CC1 240690a_100000751198_200000016029 [0,1,0,1,0,0|2,0,0]=4 4416 B20R1.19028 CC(C)CCOC(=O)C(C)OCCC1CCCCN1C 34a_200000034679_100000211948 [0,1,0,1,0,0|2,0,0]=4 4417 B20R1.19028 CC(C)CCOC(=O)C(C)OCCC1CCCCN1C 7a_200000034679_100000211948 [0,1,0,1,0,0|2,0,0]=4 4418 B20R1.19612 CCCC1CCCCC1OC(C)C(=O)NCCC(C)C 34a_100011217265_100000735922 [0,1,0,1,0,0|2,0,0]=4 4419 B20R1.19612 CCCC1CCCCC1OC(C)C(=O)NCCC(C)C 7a_100011217265_100000735922 [0,1,0,1,0,0|2,0,0]=4 4420 B20R1.31454 CC(C)CCNC(=O)C(C)NCCCC1CCCCC1 2230a_100011211642_100000735922 [0,1,0,1,0,0|2,0,0]=4 4421 B20R1.31454 CC(C)CCNC(=O)C(C)NCCCC1CCCCC1 34a_100011211642_100000735922 [0,1,0,1,0,0|2,0,0]=4 4422 B20R1.31454 CC(C)CCNC(=O)C(C)OCCCC1CCCCC1 34a_100000198086_100000735922 [0,1,0,1,0,0|2,0,0]=4 4423 B20R1.31454 CC(C)CCNC(=O)C(C)OCCCC1CCCCC1 7a_100000198086_100000735922 [0,1,0,1,0,0|2,0,0]=4 4424 B20R1.31454 CC(C)CCNC(=O)C(C)SCCCC1CCCCC1 62a_100000735922_100011713725 [0,1,0,1,0,0|2,0,0]=4 4425 B20R1.31454 CC(C)CCNC(=O)C(C)SCCCC1CCCCC1 62a_100011713725_100000735922 [0,1,0,1,0,0|2,0,0]=4 4426 B20R1.31454 CC(C)CCOC(=O)C(C)OCCCC1CCCCC1 34a_200000034679_100011713725 [0,1,0,1,0,0|1,0,0]=3 4427 B20R1.31454 CC(C)CCOC(=O)C(C)OCCCC1CCCCC1 7a_200000034679_100011713725 [0,1,0,1,0,0|1,0,0]=3 4428 B20R1.31454 CC(C)CCOC(=O)C(C)OCCCN1CCCCC1 34a_200000034679_100000690320 [0,1,0,1,0,0|2,0,0]=4 4429 B20R1.31454 CC(C)CCOC(=O)C(C)OCCCN1CCCCC1 7a_200000034679_100000007876 [0,1,0,1,0,0|2,0,0]=4 4430 B20R1.31454 CC(C)CCOC(=O)C(C)OCCOC1CCCCC1 34a_200000034679_100011211530 [0,1,0,1,0,0|2,0,0]=4 4431 B20R1.31454 CC(C)CCOC(=O)C(C)OCCOC1CCCCC1 7a_200000034679_100011211530 [0,1,0,1,0,0|2,0,0]=4 4432 B20R1.121712 CCCCCCCCCCN(C)C(=O)NCCC1CC1 2708a_100000764129_100000207566 [0,1,0,1,0,0|2,0,0]=4 4433 B20R1.121712 CCCCCCCCCCN(C)C(=O)NCCC1CC1 273464a_100000764129_100000207566 [0,1,0,1,0,0|2,0,0]=4 4434 B20R1.427903 CC(C)CCNC(=O)C(C)OCC1CCCCCCC1 34a_100011216312_100000735922 [0,1,0,1,0,0|2,0,0]=4 4435 B20R1.427903 CC(C)CCNC(=O)C(C)OCC1CCCCCCC1 7a_100011216312_100000735922 [0,1,0,1,0,0|2,0,0]=4 4436 B20R1.427952 CC(C)CCNC(=O)C(C)NCCC1CCCCCC1 2230a_100011532351_100000735922 [0,1,0,1,0,0|2,0,0]=4 4437 B20R1.427952 CC(C)CCNC(=O)C(C)NCCC1CCCCCC1 34a_100011532351_100000735922 [0,1,0,1,0,0|2,0,0]=4 4438 B20R1.427952 CC(C)CCOC(=O)C(C)OCCN1CCCCCC1 7a_200000034679_100000722644 [0,1,0,1,0,0|2,0,0]=4 4439 B20R2.67406 C[C@@H]1CCN(C1)C(=O)CCCCCN2CCCCC2 11a_100016987628_100012051570 [0,0,0,2,0,0|2,0,0]=4 4440 B20R2.67406 C[C@@H]1CCN(C1)C(=O)CCCCCN2CCCCC2 240690a_100016987628_100012051570 [0,0,0,2,0,0|2,0,0]=4 4441 B20R2.1999321 CCCCCCCCCCCC(=O)N1CC2CC2C1 11a_100000741873_100000210736 [0,0,0,2,0,0|1,0,0]=3 4442 B20R2.1999321 CCCCCCCCCCCC(=O)N1CC2CC2C1 1626a_100000741873_100000210736 [0,0,0,2,0,0|1,0,0]=3 4443 B20R2.1999321 CCCCCCCCCCCC(=O)N1CC2CC2C1 240690a_100000741873_100000210736 [0,0,0,2,0,0|1,0,0]=3 4444 B20R2.1999321 CCCCCCCCCCNC(=O)N1CC2CC2C1 2708a_100000684558_100000741873 [0,0,0,2,0,0|2,0,0]=4 4445 B20R2.1999321 CCCCCCCCCCNC(=O)N1CC2CC2C1 273464a_100000684558_100000741873 [0,0,0,2,0,0|2,0,0]=4 4446 B20R2.1999321 O=C(CCCCCCCCCCO)N1CC2CC2C1 240690a_100000741873_200000016029 [0,0,0,2,0,0|2,0,0]=4 4447 B20R2.2661881 C[C@@H]1CCN(C1)C(=O)NCCC2CCCCCCC2 2708a_100011532352_100016987628 [0,0,0,2,0,0|2,0,0]=4 4448 B20R2.2661881 C[C@@H]1CCN(C1)C(=O)NCCC2CCCCCCC2 273464a_100011532352_100016987628 [0,0,0,2,0,0|2,0,0]=4 4449 B20R2.10658 CC(C)CCCC(=O)N1CCCC1C2CCCCC2 11a_100011206067_100011216857 [0,0,0,2,0,0|2,0,0]=4 4450 B20R2.10658 CC(C)CCCC(=O)N1CCCC1C2CCCCC2 1626a_100011206067_100011216857 [0,0,0,2,0,0|2,0,0]=4 4451 B20R2.10658 CC(C)CCCC(=O)N1CCCC1C2CCCCC2 240690a_100011206067_100011216857 [0,0,0,2,0,0|2,0,0]=4 4452 B20R2.10658 CC(C)CCCC(=O)N1CCCC1C2CCCCC2 527a_100011206067_100011216857 [0,0,0,2,0,0|2,0,0]=4 4453 B20R2.10658 CC(C)CCNC(=O)N1CCCC1C2CCCCC2 2708a_100000210545_100011206067 [0,0,0,2,0,0|2,0,0]=4 4454 B20R2.10658 CC(C)CCNC(=O)N1CCCC1C2CCCCC2 273464a_100000210545_100011206067 [0,0,0,2,0,0|2,0,0]=4 4455 B20R2.779526 O=C(CCCCCN1CCCCC1)NCCC2CC2 240690a_100000764129_100012051570 [0,0,0,2,0,0|2,0,0]=4 4456 B20R2.156997 CC(C)CCCC(=O)N1C(CCC2C1CCCC2)C 11a_100132302184_100011216857 [0,0,0,2,0,0|2,0,0]=4 4457 B20R2.156997 CC(C)CCCC(=O)N1C(CCC2C1CCCC2)C 240690a_100132302184_100011216857 [0,0,0,2,0,0|2,0,0]=4 4458 B20R2.156997 CC(C)CCCC(=O)N1C(CCC2C1CCCC2)C 527a_100132302184_100011216857 [0,0,0,2,0,0|2,0,0]=4 4459 B20R2.156997 CC(C)CCNC(=O)N1C(CCC2C1CCCC2)C 273464a_100000210545_100132302184 [0,0,0,2,0,0|2,0,0]=4 4460 B20R2.1999331 CCCCCCCCCCCC(=O)NC12CC(C1)C2 11a_100016993715_100000210736 [0,0,0,2,0,0|1,0,0]=3 4461 B20R2.1999331 CCCCCCCCCCCC(=O)NC12CC(C1)C2 1626a_100016993715_100000210736 [0,0,0,2,0,0|1,0,0]=3 4462 B20R2.1999331 CCCCCCCCCCCC(=O)NC12CC(C1)C2 240690a_100016993715_100000210736 [0,0,0,2,0,0|1,0,0]=3 4463 B20R2.1999331 CCCCCCCCCCNC(=O)NC12CC(C1)C2 2708a_100000684558_100016993715 [0,0,0,2,0,0|2,0,0]=4 4464 B20R2.1999331 CCCCCCCCCCNC(=O)NC12CC(C1)C2 273464a_100000684558_100016993715 [0,0,0,2,0,0|2,0,0]=4 4465 B20R2.1999331 CCCCCCCCCCNC(=O)NC12CC(C1)C2 273464a_100016993715_100000684558 [0,0,0,2,0,0|2,0,0]=4 4466 B20R2.1999331 CCCCCCCCCCNC(=O)NC12CC(C1)C2 512a_100000684558_100016993715 [0,0,0,2,0,0|2,0,0]=4 4467 B20R2.1999331 CCCCCCCCCCNC(=O)NC12CC(C1)C2 512a_100016993715_100000684558 [0,0,0,2,0,0|2,0,0]=4 4468 B20R2.1999331 O=C(CCCCCCCCCCO)NC12CC(C1)C2 240690a_100016993715_200000016029 [0,0,0,2,0,0|2,0,0]=4 4469 B20R2.11063880 O=C(NCCC1CCCCCCC1)NCCC2CC2 2708a_100000764129_100011532352 [0,0,0,2,0,0|2,0,0]=4 4470 B20R2.11063880 O=C(NCCC1CCCCCCC1)NCCC2CC2 2708a_100011532352_100000764129 [0,0,0,2,0,0|2,0,0]=4 4471 B20R2.11063880 O=C(NCCC1CCCCCCC1)NCCC2CC2 273464a_100000764129_100011532352 [0,0,0,2,0,0|2,0,0]=4 4472 B20R2.11063880 O=C(NCCC1CCCCCCC1)NCCC2CC2 273464a_100011532352_100000764129 [0,0,0,2,0,0|2,0,0]=4 4473 B20R2.11063880 O=C(NCCC1CCCCCCC1)NCCC2CC2 512a_100000764129_100011532352 [0,0,0,2,0,0|2,0,0]=4 4474 B16R0.3183 C#CCCCCCCCCC(=O)CCC(C)C 1458a_100000029693_100000210312 [1,0,0,0,1,0|0,0,2]=4 4475 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_100000210375_100000730704 [1,0,0,0,1,0|0,0,2]=4 4476 B16R0.3183 C=C(C)CCC(=O)CCCCCCCCCC 1458a_200000688413_100000210319 [1,0,0,0,1,0|0,0,2]=4 4477 B16R0.3183 C=CCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011933949 [1,0,0,0,1,0|0,0,2]=4 4478 B16R0.3183 C=CCCCCCCCCC(=O)CCC(C)C 1458a_100000211349_100000210312 [1,0,0,0,1,0|0,0,2]=4 4479 B16R0.3183 CC#CCCCCCCCC(=O)CCC(C)C 1458a_100000066323_100000210312 [1,0,0,0,1,0|0,0,2]=4 4480 B16R0.3183 CC(C)CCC(=O)CCCCCCCCCF 1458a_200009909015_100000210312 [1,0,0,0,1,0|1,0,0]=3 4481 B16R0.3183 CC(C)CCC(=O)CCCCCCCCCO 1458a_100000181311_100009813782 [1,0,0,0,1,0|1,0,0]=3 4482 B16R0.3183 CC(C)CCC(=O)NCCCCCCCCO 240690a_102515433106_100000181311 [1,0,0,0,1,0|2,0,0]=4 4483 B16R0.3183 CC(C)CNC(=O)CCCCCCCCCF 11a_100000210953_200009909015 [1,0,0,0,1,0|2,0,0]=4 4484 B16R0.3183 CC(C)CNC(=O)CCCCCCCCCF 240690a_100000210953_200009909015 [1,0,0,0,1,0|2,0,0]=4 4485 B16R0.3183 CC(C)CNC(=O)CCCCCCCCCF 527a_100000210953_200009909015 [1,0,0,0,1,0|2,0,0]=4 4486 B16R0.3183 CC(C)CNC(=O)CCCCCCCCCO 240690a_100000210953_100000032657 [1,0,0,0,1,0|2,0,0]=4 4487 B16R0.3183 CC(C)OCC(=O)CCCCCCCCCO 1458a_100000745533_100009813782 [1,0,0,0,1,0|2,0,0]=4 4488 B16R0.3183 CC(C)SCC(=O)CCCCCCCCCO 1458a_100000241585_100009813782 [1,0,0,0,1,0|2,0,0]=4 4489 B16R0.3183 CC(O)CCC(=O)CCCCCCCCCF 1458a_200009909015_100012276601 [1,0,0,0,1,0|2,0,0]=4 4490 B16R0.3183 CCC#CCCCCCCC(=O)CCC(C)C 1458a_100000181311_200000036426 [1,0,0,0,1,0|0,0,2]=4 4491 B16R0.3183 CCCCCCCCC=CC(=O)CCC(C)C 1458a_100015345288_100000210312 [1,0,0,0,1,0|0,0,2]=4 4492 B16R0.3183 CCCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210319 [1,0,0,0,1,0|0,0,2]=4 4493 B16R0.3183 CCCCCCCCCCC(=O)CC=C(C)C 1458a_100000210375_100000761012 [1,0,0,0,1,0|0,0,2]=4 4494 B16R0.3183 CCCCCCCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210319 [1,0,0,0,1,0|0,0,2]=4 4495 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210319 [1,0,0,0,1,0|0,0,0]=2 4496 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000210375_100000210312 [1,0,0,0,1,0|0,0,0]=2 4497 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)O 1458a_100000210375_100012276601 [1,0,0,0,1,0|1,0,0]=3 4498 B16R0.3183 CCCCCCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210319 [1,0,0,0,1,0|1,0,0]=3 4499 B16R0.3183 CCCCCCCCCCC(=O)COC(C)C 1458a_100000745533_100000210319 [1,0,0,0,1,0|1,0,0]=3 4500 B16R0.3183 CCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210319 [1,0,0,0,1,0|1,0,0]=3 4501 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100000210375 [1,0,0,0,1,0|1,0,0]=3 4502 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100000210375 [1,0,0,0,1,0|1,0,0]=3 4503 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100000210375 [1,0,0,0,1,0|1,0,0]=3 4504 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)O 11a_100000210904_100000210375 [1,0,0,0,1,0|2,0,0]=4 4505 B16R0.3183 CCCCCCCCCCC(=O)NCC(C)O 240690a_100000210904_100000210375 [1,0,0,0,1,0|2,0,0]=4 4506 B16R0.3183 CCCCCCCCCCC(=O)NNC(C)C 22a_100000741168_100000210375 [1,0,0,0,1,0|2,0,0]=4 4507 B16R0.3183 CCCCCCCCCCC(C)OCC(C)C 34a_100011215000_100000210624 [1,0,0,0,1,0|1,0,1]=4 4508 B16R0.3183 CCCCCCCCCCC(C)OCC(C)C 7a_100011215000_100000210760 [1,0,0,0,1,0|1,0,1]=4 4509 B16R0.3183 CCCCCCCCCCN(C)CCC(C)C 2230a_100000207566_100000210312 [1,0,0,0,1,0|2,0,0]=4 4510 B16R0.3183 CCCCCCCCCCN(C)CCC(C)C 2230a_100000742789_100000210320 [1,0,0,0,1,0|2,0,0]=4 4511 B16R0.3183 CCCCCCCCCCN(C)CCC(C)C 269982a_100000207566_100000210312 [1,0,0,0,1,0|2,0,0]=4 4512 B16R0.3183 CCCCCCCCCCN(C)CCC(C)C 269982a_100000742789_100000210320 [1,0,0,0,1,0|2,0,0]=4 4513 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)C 11a_100000212291_100000181311 [1,0,0,0,1,0|1,0,0]=3 4514 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)C 1626a_100000212291_100000181311 [1,0,0,0,1,0|1,0,0]=3 4515 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)C 240690a_100000212291_100000181311 [1,0,0,0,1,0|1,0,0]=3 4516 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)C 527a_100000212291_100000181311 [1,0,0,0,1,0|1,0,0]=3 4517 B16R0.3183 CCCCCCCCCNC(=O)CCC(C)O 1626a_100000212291_100000718519 [1,0,0,0,1,0|2,0,0]=4 4518 B16R0.3183 CCCCCCCCCNC(=O)CCN(C)C 11a_100000212291_100000689311 [1,0,0,0,1,0|2,0,0]=4 4519 B16R0.3183 CCCCCCCCCNC(=O)CCN(C)C 240690a_100000212291_100000689311 [1,0,0,0,1,0|2,0,0]=4 4520 B16R0.3183 CCCCCCCCCNC(=O)CCN(C)C 527a_100000212291_100000689311 [1,0,0,0,1,0|2,0,0]=4 4521 B16R0.3183 CCCCCCCCCNC(=O)CC[S+](C)C 11a_100000212291_100009452791 [1,0,0,0,1,0|2,0,0]=4 4522 B16R0.3183 CCCCCCCCCNC(=O)CC[S+](C)C 1626a_100000212291_100009452791 [1,0,0,0,1,0|2,0,0]=4 4523 B16R0.3183 CCCCCCCCCNC(=O)CC[S+](C)C 240690a_100000212291_100009452791 [1,0,0,0,1,0|2,0,0]=4 4524 B16R0.3183 CCCCCCCCCNC(=O)COC(C)C 11a_100000212291_100000745533 [1,0,0,0,1,0|2,0,0]=4 4525 B16R0.3183 CCCCCCCCCNC(=O)COC(C)C 1626a_100000212291_100000745533 [1,0,0,0,1,0|2,0,0]=4 4526 B16R0.3183 CCCCCCCCCNC(=O)COC(C)C 240690a_100000212291_100000745533 [1,0,0,0,1,0|2,0,0]=4 4527 B16R0.3183 CCCCCCCCCNC(=O)COC(C)C 527a_100000212291_100000745533 [1,0,0,0,1,0|2,0,0]=4 4528 B16R0.3183 CCCCCCCCCNC(=O)CSC(C)C 11a_100000212291_100000241585 [1,0,0,0,1,0|2,0,0]=4 4529 B16R0.3183 CCCCCCCCCNC(=O)CSC(C)C 1626a_100000212291_100000241585 [1,0,0,0,1,0|2,0,0]=4 4530 B16R0.3183 CCCCCCCCCNC(=O)CSC(C)C 240690a_100000212291_100000241585 [1,0,0,0,1,0|2,0,0]=4 4531 B16R0.3183 CCCCCCCCCNC(=O)CSC(C)C 527a_100000212291_100000241585 [1,0,0,0,1,0|2,0,0]=4 4532 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)C 2708a_100000210953_100000212291 [1,0,0,0,1,0|2,0,0]=4 4533 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)C 2708a_100000212291_100000210953 [1,0,0,0,1,0|2,0,0]=4 4534 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)C 273464a_100000210953_100000212291 [1,0,0,0,1,0|2,0,0]=4 4535 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)C 273464a_100000212291_100000210953 [1,0,0,0,1,0|2,0,0]=4 4536 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)C 512a_100000210953_100000212291 [1,0,0,0,1,0|2,0,0]=4 4537 B16R0.3183 CCCCCCCCCNC(=O)NCC(C)C 512a_100000212291_100000210953 [1,0,0,0,1,0|2,0,0]=4 4538 B16R0.3183 CCCCCCCCNCC(=O)NCC(C)C 2230a_100000229939_100000183291 [1,0,0,0,1,0|2,0,0]=4 4539 B16R0.3183 CCCCCCCCNCC(=O)NCC(C)C 34a_100000229939_100000183291 [1,0,0,0,1,0|2,0,0]=4 4540 B16R0.3183 CCCCCCCCOCC(=O)CCC(C)C 1458a_100000759886_100000210312 [1,0,0,0,1,0|1,0,0]=3 4541 B16R0.3183 CCCCCCCCOCC(=O)CCC(C)O 1458a_100000759886_100012276601 [1,0,0,0,1,0|2,0,0]=4 4542 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)C 11a_100000210953_100000759886 [1,0,0,0,1,0|2,0,0]=4 4543 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)C 1626a_100000210953_100000759886 [1,0,0,0,1,0|2,0,0]=4 4544 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)C 240690a_100000210953_100000759886 [1,0,0,0,1,0|2,0,0]=4 4545 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)C 34a_100000210232_100000183291 [1,0,0,0,1,0|2,0,0]=4 4546 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)C 527a_100000210953_100000759886 [1,0,0,0,1,0|2,0,0]=4 4547 B16R0.3183 CCCCCCCCOCC(=O)NCC(C)C 7a_100000210232_100000183291 [1,0,0,0,1,0|2,0,0]=4 4548 B16R0.3183 CCCCCCCCSCC(=O)NCC(C)C 62a_100000183291_100000210317 [1,0,0,0,1,0|2,0,0]=4 4549 B16R0.3183 CCCCCCCCSCC(=O)NCC(C)C 62a_100000210759_100000183291 [1,0,0,0,1,0|2,0,0]=4 4550 B16R0.3183 CCCCCCNCCCC(=O)NCC(C)C 2230a_100000210581_100011194448 [1,0,0,0,1,0|2,0,0]=4 4551 B16R0.3183 CCCCCCOCCCC(=O)NCC(C)C 34a_100000210259_100011194448 [1,0,0,0,1,0|2,0,0]=4 4552 B16R0.3183 CCCCCCOCCCC(=O)NCC(C)C 7a_100000210259_100011194448 [1,0,0,0,1,0|2,0,0]=4 4553 B16R0.3183 CCCCCCSCCCC(=O)NCC(C)C 62a_100000210314_100011194448 [1,0,0,0,1,0|2,0,0]=4 4554 B16R0.3183 CCCCCCSCCCC(=O)NCC(C)C 62a_100011194448_100000210757 [1,0,0,0,1,0|2,0,0]=4 4555 B16R0.3183 C[S+](C)CCC(=O)CCCCCCCCCO 1458a_100009452791_100009813782 [1,0,0,0,1,0|2,0,0]=4 4556 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [0,0,0,0,2,0|0,0,2]=4 4557 B16R0.302 C=CCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100009814027 [0,0,0,0,2,0|0,0,2]=4 4558 B16R0.302 CC(C)CC(=O)CCCCCCCCCCO 1458a_100000210554_100009813290 [0,0,0,0,2,0|1,0,0]=3 4559 B16R0.302 CC(C)CC(=O)NCCCCCCCCCO 240690a_100000078944_100000210554 [0,0,0,0,2,0|2,0,0]=4 4560 B16R0.302 CC(C)NC(=O)CCCCCCCCCCO 240690a_100138425928_200000016029 [0,0,0,0,2,0|2,0,0]=4 4561 B16R0.302 CC(C)OC(=O)CCCCCNCCCCO 2230a_100000750430_200010986244 [0,0,0,0,2,0|2,0,0]=4 4562 B16R0.302 CC(C)OC(=O)CCCCCNCCCCO 34a_100000750430_200010986244 [0,0,0,0,2,0|2,0,0]=4 4563 B16R0.302 CC(C)OC(=O)CCCCCOCCCCBr 34a_100011216708_200010986244 [0,0,0,0,2,0|2,0,0]=4 4564 B16R0.302 CC(C)OC(=O)CCCCCOCCCCCl 34a_100000210776_200010986244 [0,0,0,0,2,0|2,0,0]=4 4565 B16R0.302 CC(C)OC(=O)CCCCCOCCCCCl 7a_100000210776_200010986244 [0,0,0,0,2,0|2,0,0]=4 4566 B16R0.302 CC(C)OC(=O)CCCCCOCCCCF 34a_100011995726_200010986244 [0,0,0,0,2,0|2,0,0]=4 4567 B16R0.302 CC(C)OC(=O)CCCCCOCCCCF 7a_100011995726_200010986244 [0,0,0,0,2,0|2,0,0]=4 4568 B16R0.302 CC(C)OC(=O)CCCCCOCCCCI 34a_200012148704_200010986244 [0,0,0,0,2,0|2,0,0]=4 4569 B16R0.302 CC(C)OC(=O)CCCCCOCCCCN 34a_100000750430_200010986244 [0,0,0,0,2,0|2,0,0]=4 4570 B16R0.302 CC(C)OC(=O)CCCCCSCCCCF 62a_100000729493_200010986244 [0,0,0,0,2,0|2,0,0]=4 4571 B16R0.302 CC(C)OC(=O)CCCCCSCCCCF 62a_200010986244_100000729493 [0,0,0,0,2,0|2,0,0]=4 4572 B16R0.302 CC(C)OC(=O)CCCCCSCCCCO 62a_100000210776_200010986244 [0,0,0,0,2,0|2,0,0]=4 4573 B16R0.302 CC(C)OC(=O)CCCCCSCCCCO 62a_200010986244_100000210776 [0,0,0,0,2,0|2,0,0]=4 4574 B16R0.302 CC(C)OC(=O)CCNCCCCCCCO 2230a_100011996573_100000760027 [0,0,0,0,2,0|2,0,0]=4 4575 B16R0.302 CC(C)OC(=O)CCOCCCCCCCBr 7a_100000760002_100000760027 [0,0,0,0,2,0|2,0,0]=4 4576 B16R0.302 CC(C)OC(=O)CCSCCCCCCCO 62a_100000760002_100000760027 [0,0,0,0,2,0|2,0,0]=4 4577 B16R0.302 CC(C)OC(=O)CCSCCCCCCCO 62a_100000760027_100000760002 [0,0,0,0,2,0|2,0,0]=4 4578 B16R0.302 CC(C)OC(=O)CNCCCCCCCCO 2230a_102515433106_100011215430 [0,0,0,0,2,0|2,0,0]=4 4579 B16R0.302 CC(C)OC(=O)CNCCCCCCCCO 34a_102515433106_100011215430 [0,0,0,0,2,0|2,0,0]=4 4580 B16R0.302 CC(C)OC(=O)COCCCCCCCCBr 34a_100009813846_100011215430 [0,0,0,0,2,0|2,0,0]=4 4581 B16R0.302 CC(C)OC(=O)COCCCCCCCCBr 7a_100009813846_100011215430 [0,0,0,0,2,0|2,0,0]=4 4582 B16R0.302 CC(C)OC(=O)COCCCCCCCCCl 34a_100000033203_100011215430 [0,0,0,0,2,0|2,0,0]=4 4583 B16R0.302 CC(C)OC(=O)COCCCCCCCCCl 7a_100000033203_100011215430 [0,0,0,0,2,0|2,0,0]=4 4584 B16R0.302 CC(C)OC(=O)COCCCCCCCCN 34a_102515433106_100011215430 [0,0,0,0,2,0|2,0,0]=4 4585 B16R0.302 CC(C)OC(=O)CSCCCCCCCCO 62a_100000033203_100011215430 [0,0,0,0,2,0|2,0,0]=4 4586 B16R0.302 CC(C)OC(=O)CSCCCCCCCCO 62a_100011215430_100000033203 [0,0,0,0,2,0|2,0,0]=4 4587 B16R0.302 CCCCCCCCCC=CC(=O)CC(C)C 1458a_200015352897_100000210624 [0,0,0,0,2,0|0,0,2]=4 4588 B16R0.302 CCCCCCCCCCCC(=O)C=C(C)C 1458a_100000211388_100011215454 [0,0,0,0,2,0|0,0,2]=4 4589 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215454 [0,0,0,0,2,0|0,0,0]=2 4590 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210736_100000210624 [0,0,0,0,2,0|0,0,0]=2 4591 B16R0.302 CCCCCCCCCCCC(=O)CC(C)O 1458a_100000210736_100011218427 [0,0,0,0,2,0|1,0,0]=3 4592 B16R0.302 CCCCCCCCCCCC(=O)CC(F)F 1458a_100000210736_100011934356 [0,0,0,0,2,0|2,0,0]=4 4593 B16R0.302 CCCCCCCCCCCC(=O)CN(C)C 1458a_100000750896_100011215454 [0,0,0,0,2,0|1,0,0]=3 4594 B16R0.302 CCCCCCCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215454 [0,0,0,0,2,0|1,0,0]=3 4595 B16R0.302 CCCCCCCCCCCC(=O)C[S+](C)C 1458a_200159257847_100011215454 [0,0,0,0,2,0|1,0,0]=3 4596 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 11a_100138425928_100000210736 [0,0,0,0,2,0|1,0,0]=3 4597 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 1626a_100138425928_100000210736 [0,0,0,0,2,0|1,0,0]=3 4598 B16R0.302 CCCCCCCCCCCC(=O)NC(C)C 240690a_100138425928_100000210736 [0,0,0,0,2,0|1,0,0]=3 4599 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 34a_100011217895_100000210206 [0,0,0,0,2,0|1,0,1]=4 4600 B16R0.302 CCCCCCCCCCCC(C)OC(C)C 7a_100011217895_100000210206 [0,0,0,0,2,0|1,0,1]=4 4601 B16R0.302 CCCCCCCCCCCN(C)CC(C)C 2230a_100000747067_100011215454 [0,0,0,0,2,0|2,0,0]=4 4602 B16R0.302 CCCCCCCCCCCN(C)CC(C)C 269982a_100000747067_100011215454 [0,0,0,0,2,0|2,0,0]=4 4603 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 11a_100000684558_100000210554 [0,0,0,0,2,0|1,0,0]=3 4604 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 1626a_100000684558_100000210554 [0,0,0,0,2,0|1,0,0]=3 4605 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 240690a_100000684558_100000210554 [0,0,0,0,2,0|1,0,0]=3 4606 B16R0.302 CCCCCCCCCCNC(=O)CC(C)C 527a_100000684558_100000210554 [0,0,0,0,2,0|1,0,0]=3 4607 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 11a_100000684558_100000750896 [0,0,0,0,2,0|2,0,0]=4 4608 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 240690a_100000684558_100000750896 [0,0,0,0,2,0|2,0,0]=4 4609 B16R0.302 CCCCCCCCCCNC(=O)CN(C)C 527a_100000684558_100000750896 [0,0,0,0,2,0|2,0,0]=4 4610 B16R0.302 CCCCCCCCCCNC(=O)C[C@@H](C)O 240690a_100000684558_100011933948 [0,0,0,0,2,0|2,0,0]=4 4611 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 11a_100000684558_200159257847 [0,0,0,0,2,0|2,0,0]=4 4612 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 1626a_100000684558_200159257847 [0,0,0,0,2,0|2,0,0]=4 4613 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 240690a_100000684558_200159257847 [0,0,0,0,2,0|2,0,0]=4 4614 B16R0.302 CCCCCCCCCCNC(=O)C[S+](C)C 527a_100000684558_200159257847 [0,0,0,0,2,0|2,0,0]=4 4615 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 2708a_100000684558_100138425928 [0,0,0,0,2,0|2,0,0]=4 4616 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 2708a_100138425928_100000684558 [0,0,0,0,2,0|2,0,0]=4 4617 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 273464a_100138425928_100000684558 [0,0,0,0,2,0|2,0,0]=4 4618 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 512a_100000684558_100138425928 [0,0,0,0,2,0|2,0,0]=4 4619 B16R0.302 CCCCCCCCCCNC(=O)NC(C)C 512a_100138425928_100000684558 [0,0,0,0,2,0|2,0,0]=4 4620 B16R0.302 CCCCCCCCCCOC(=O)CN(C)C 2230a_100102631434_100000210668 [0,0,0,0,2,0|2,0,0]=4 4621 B16R0.302 CCCCCCCCCCOC(=O)CN(C)C 269982a_100102631434_100000210668 [0,0,0,0,2,0|2,0,0]=4 4622 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 2230a_100000168517_100011214924 [0,0,0,0,2,0|2,0,0]=4 4623 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 2230a_100000212291_100000183996 [0,0,0,0,2,0|2,0,0]=4 4624 B16R0.302 CCCCCCCCCNCC(=O)NC(C)C 34a_100000212291_100000183996 [0,0,0,0,2,0|2,0,0]=4 4625 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 2230a_100000212291_100011215430 [0,0,0,0,2,0|1,0,0]=3 4626 B16R0.302 CCCCCCCCCNCC(=O)OC(C)C 34a_100000212291_100011215430 [0,0,0,0,2,0|1,0,0]=3 4627 B16R0.302 CCCCCCCCCOCC(=O)NC(C)C 34a_100000210712_100000183996 [0,0,0,0,2,0|2,0,0]=4 4628 B16R0.302 CCCCCCCCCOCC(=O)NC(C)C 7a_100000210712_100000183996 [0,0,0,0,2,0|2,0,0]=4 4629 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 34a_100000210712_100011215430 [0,0,0,0,2,0|1,0,0]=3 4630 B16R0.302 CCCCCCCCCOCC(=O)OC(C)C 7a_100000210712_100011215430 [0,0,0,0,2,0|1,0,0]=3 4631 B16R0.302 CCCCCCCCCSCC(=O)NC(C)C 62a_100000183996_100000210670 [0,0,0,0,2,0|2,0,0]=4 4632 B16R0.302 CCCCCCCCCSCC(=O)OC(C)C 62a_100011215430_100000210670 [0,0,0,0,2,0|1,0,0]=3 4633 B16R0.302 CCCCCCCCNCCC(=O)NC(C)C 2230a_100000229939_100000737564 [0,0,0,0,2,0|2,0,0]=4 4634 B16R0.302 CCCCCCCCNCCC(=O)OC(C)C 2230a_100000229939_100000760027 [0,0,0,0,2,0|1,0,0]=3 4635 B16R0.302 CCCCCCCCOCCC(=O)NC(C)C 7a_100000210232_100000737564 [0,0,0,0,2,0|2,0,0]=4 4636 B16R0.302 CCCCCCCCOCCC(=O)OC(C)C 7a_100000210232_100000760027 [0,0,0,0,2,0|1,0,0]=3 4637 B16R0.302 CCCCCCCCSCCC(=O)NC(C)C 62a_100000210759_100000737564 [0,0,0,0,2,0|2,0,0]=4 4638 B16R0.302 CCCCCCCCSCCC(=O)NC(C)C 62a_100000737564_100000210317 [0,0,0,0,2,0|2,0,0]=4 4639 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000210759_100000760027 [0,0,0,0,2,0|1,0,0]=3 4640 B16R0.302 CCCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100000210317 [0,0,0,0,2,0|1,0,0]=3 4641 B16R0.302 CCCCCCCCSCOC(=O)OC(C)C 62a_100000003507_100000210317 [0,0,0,0,2,0|2,0,0]=4 4642 B16R0.302 CCCCCCCCSCOC(=O)OC(C)C 62a_100000210759_100000003507 [0,0,0,0,2,0|2,0,0]=4 4643 B16R0.302 CCCCCCOCCOCC(=O)OC(C)C 34a_100000691444_100011215430 [0,0,0,0,2,0|2,0,0]=4 4644 B16R0.302 CCCCCCOCCOCC(=O)OC(C)C 7a_100000691444_100011215430 [0,0,0,0,2,0|2,0,0]=4 4645 B16R0.302 CCCCCNCCCCCC(=O)OC(C)C 2230a_100000209983_200010986244 [0,0,0,0,2,0|1,0,0]=3 4646 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 34a_100000210253_200010986244 [0,0,0,0,2,0|1,0,0]=3 4647 B16R0.302 CCCCCOCCCCCC(=O)OC(C)C 7a_100000210253_200010986244 [0,0,0,0,2,0|1,0,0]=3 4648 B16R0.302 CCCCCOCCOCCC(=O)OC(C)C 7a_100011215259_100000760027 [0,0,0,0,2,0|2,0,0]=4 4649 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_100000210326_200010986244 [0,0,0,0,2,0|1,0,0]=3 4650 B16R0.302 CCCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000210326 [0,0,0,0,2,0|1,0,0]=3 4651 B16R0.302 CCCCNCCCCOCC(=O)OC(C)C 34a_200011216965_100011215430 [0,0,0,0,2,0|2,0,0]=4 4652 B16R0.302 CCCCOCCCCOCC(=O)OC(C)C 34a_200000760531_100011215430 [0,0,0,0,2,0|2,0,0]=4 4653 B16R0.302 CCCCOCCCCOCC(=O)OC(C)C 7a_200000760531_100011215430 [0,0,0,0,2,0|2,0,0]=4 4654 B16R0.302 CCCCOCCCNCCC(=O)OC(C)C 2230a_200000211371_100000760027 [0,0,0,0,2,0|2,0,0]=4 4655 B16R0.302 CCCCOCCCOCCC(=O)OC(C)C 7a_200011215613_100000760027 [0,0,0,0,2,0|2,0,0]=4 4656 B16R0.302 CCOCCNCCCCCC(=O)OC(C)C 2230a_102516460346_200010986244 [0,0,0,0,2,0|2,0,0]=4 4657 B16R0.302 CCOCCNCCCCCC(=O)OC(C)C 34a_102516460346_200010986244 [0,0,0,0,2,0|2,0,0]=4 4658 B16R0.302 CCOCCOCCCCCC(=O)OC(C)C 34a_100000210136_200010986244 [0,0,0,0,2,0|2,0,0]=4 4659 B16R0.302 CCOCCOCCCCCC(=O)OC(C)C 7a_100000210136_200010986244 [0,0,0,0,2,0|2,0,0]=4 4660 B16R0.302 CCOCCSCCCCCC(=O)OC(C)C 62a_100000210147_200010986244 [0,0,0,0,2,0|2,0,0]=4 4661 B16R0.302 CCOCCSCCCCCC(=O)OC(C)C 62a_200010986244_100011215890 [0,0,0,0,2,0|2,0,0]=4 4662 B16R0.302 CCSCCNCCCCCC(=O)OC(C)C 2230a_100000106463_200010986244 [0,0,0,0,2,0|2,0,0]=4 4663 B16R0.302 CCSCCOCCCCCC(=O)OC(C)C 34a_100000212035_200010986244 [0,0,0,0,2,0|2,0,0]=4 4664 B16R0.302 CCSCCOCCCCCC(=O)OC(C)C 7a_100000212035_200010986244 [0,0,0,0,2,0|2,0,0]=4 4665 B16R0.302 CCSCCSCCCCCC(=O)OC(C)C 62a_100000757381_200010986244 [0,0,0,0,2,0|2,0,0]=4 4666 B16R0.302 CCSCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000757381 [0,0,0,0,2,0|2,0,0]=4 4667 B16R0.302 CN(C)CC(=O)CCCCCCCCCCO 1458a_100000750896_100009813290 [0,0,0,0,2,0|2,0,0]=4 4668 B16R0.302 CNCCCOCCCCCC(=O)OC(C)C 34a_100000213112_200010986244 [0,0,0,0,2,0|2,0,0]=4 4669 B16R0.302 COCCCCCCOCCC(=O)OC(C)C 7a_200012092642_100000760027 [0,0,0,0,2,0|2,0,0]=4 4670 B16R0.302 COCCCCCCSCCC(=O)OC(C)C 62a_100000760027_100011998445 [0,0,0,0,2,0|2,0,0]=4 4671 B16R0.302 COCCCCCCSCCC(=O)OC(C)C 62a_100011998445_100000760027 [0,0,0,0,2,0|2,0,0]=4 4672 B16R0.302 COCCCNCCCCCC(=O)OC(C)C 34a_100150723488_200010986244 [0,0,0,0,2,0|2,0,0]=4 4673 B16R0.302 COCCCOCCCCCC(=O)OC(C)C 34a_100000740835_200010986244 [0,0,0,0,2,0|2,0,0]=4 4674 B16R0.302 COCCCSCCCCCC(=O)OC(C)C 62a_100000709357_200010986244 [0,0,0,0,2,0|2,0,0]=4 4675 B16R0.302 COCCCSCCCCCC(=O)OC(C)C 62a_200010986244_100000709357 [0,0,0,0,2,0|2,0,0]=4 4676 B16R0.302 CSCCCNCCCCCC(=O)OC(C)C 2230a_100000749238_200010986244 [0,0,0,0,2,0|2,0,0]=4 4677 B16R0.302 CSCCCOCCCCCC(=O)OC(C)C 34a_100000690336_200010986244 [0,0,0,0,2,0|2,0,0]=4 4678 B16R0.302 CSCCCOCCCCCC(=O)OC(C)C 7a_100000690336_200010986244 [0,0,0,0,2,0|2,0,0]=4 4679 B16R0.302 C[C@@H](O)CC(=O)CCCCCCCCCCO 1458a_100011933948_100009813290 [0,0,0,0,2,0|2,0,0]=4 4680 B16R0.302 C[S+](C)CC(=O)CCCCCCCCCCO 1458a_200159257847_100009813290 [0,0,0,0,2,0|2,0,0]=4 4681 B20R0.10422 CCCCCCCCCCCC(=O)OCNCC=C(C)C 34a_100000718196_100020644155 [0,0,0,0,0,2|0,0,1]=3 4682 B20R0.10422 CCCCCCCCCCCC(=O)OCOCC=C(C)C 34a_100000753907_100020644155 [0,0,0,0,0,2|0,0,1]=3 4683 B20R0.10422 CCCCCCCCCCCC(=O)OCSCOC(=O)C 62a_100000076356_100020644155 [0,0,0,0,0,2|1,0,1]=4 4684 B20R0.10422 CCCCCCCCCCNC(=O)NCCCOC(C)C 2708a_100000684558_100000737246 [0,0,0,0,0,2|2,0,0]=4 4685 B20R0.10422 CCCCCCCCCCNC(=O)NCCCOC(C)C 2708a_100000737246_100000684558 [0,0,0,0,0,2|2,0,0]=4 4686 B20R0.10422 CCCCCCCCCCNC(=O)NCCCOC(C)C 273464a_100000684558_100000737246 [0,0,0,0,0,2|2,0,0]=4 4687 B20R0.10422 CCCCCCCCCCNC(=O)NCCCOC(C)C 273464a_100000737246_100000684558 [0,0,0,0,0,2|2,0,0]=4 4688 B20R0.10422 CCCCCCCCCCNC(=O)NCCCOC(C)C 512a_100000684558_100000737246 [0,0,0,0,0,2|2,0,0]=4 4689 B20R0.10422 CCCCCCCCCCNC(=O)NCCCOC(C)C 512a_100000737246_100000684558 [0,0,0,0,0,2|2,0,0]=4