0 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 C=C(C)CCN(C)C 2230a_100102631434_100000730704 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.6 C=C(C)CCN(C)C 269982a_100102631434_100000730704 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,0,0,0,0,0|1,0,0]=1 13 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,0,0,0,0,0|2,0,1]=3 15 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,0,0,0,0,0|1,0,1]=2 16 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,0,0,0,0,0|2,0,0]=2 29 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,0,0,0,0,0|2,0,1]=3 38 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [0,0,0,0,0,0|2,0,0]=2 45 B7R0.6 CC(=O)OCN(C)C 269982a_100102631434_100000076356 [0,0,0,0,0,0|4,0,0]=4 46 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,0,0,0,0,0|2,0,2]=4 56 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.6 CC(O)CCN(C)C 2230a_100102631434_100012276601 [0,0,0,0,0,0|3,0,1]=4 62 B7R0.6 CC(O)CCN(C)C 269982a_100102631434_100012276601 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,0,0,0,0,0|3,0,0]=3 65 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,0,0,0,0,0|3,0,0]=3 66 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,0,0,0,0,0|3,0,0]=3 67 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,0,0,0,0,0|3,0,0]=3 68 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,0,0,0,0,0|1,0,0]=1 69 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,0,0,0,0,0|1,0,1]=2 70 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,0,0,0,0,0|2,0,0]=2 71 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,0,0,0,0,0|3,0,1]=4 72 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,0,0,0,0,0|3,0,1]=4 73 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.4 C=CC=CC(=O)C 1458a_100016291481_200000210301 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.4 C=CC=CC(=O)[13CH3] 1458a_100016291481_200025704644 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,0,0,0,0|1,0,0]=2 96 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,0,0,0,0|1,0,0]=2 97 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,0,0,0,0|1,0,0]=2 98 B6R0.4 C=CCCN(C)C 2230a_100020639649_200000210301 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.4 C=CCCN(C)C 2230a_100102631434_100000754431 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.4 C=CCCN(C)C 269982a_100020639649_200000210301 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.4 C=CCCN(C)C 269982a_100102631434_100000754431 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 C=CCCN(C)[13CH3] 2230a_100020639649_200025704644 [1,0,0,0,0,0|3,0,0]=4 103 B6R0.4 C=CCCN(C)[13CH3] 269982a_100020639649_200025704644 [1,0,0,0,0,0|3,0,0]=4 104 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [1,0,0,0,0,0|0,0,3]=4 109 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,0,0,0,0|1,0,1]=3 110 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,0,0,0,0|1,0,1]=3 111 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,0,0,0,0|0,0,1]=2 113 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,0,0,0,0|2,0,1]=4 119 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,0,0,0,0|2,0,1]=4 120 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,0,0,0,0|2,0,1]=4 122 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,0,0,0,0|2,0,1]=4 123 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,0,0,0,0|1,0,1]=3 125 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,0,0,0,0|1,0,1]=3 143 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,0,0,0,0|1,0,1]=3 150 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,0,0,0,0|1,0,2]=4 155 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,0,0,0,0|2,0,1]=4 156 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,0,0,0,0|2,0,1]=4 158 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,0,0,0,0|1,0,2]=4 161 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,0,0,0,0|2,0,0]=3 191 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,0,0,0,0|3,0,0]=4 197 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,0,0,0,0|3,0,0]=4 198 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [1,0,0,0,0,0|0,0,3]=4 200 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,0,0,0,0|1,0,1]=3 201 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,0,0,0,0|2,0,0]=3 206 B8R0.9 C#CC(=O)CC=C(C)C 1458a_100000211873_100000761012 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.9 C#CC(=O)CCC(=C)C 1458a_100000211873_100000730704 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,0,0,0,0|1,0,2]=4 210 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,0,0,0,0|2,0,0]=3 212 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,0,0,0,0|2,0,0]=3 213 B8R0.9 C=C(C)CCC(=O)CF 1458a_200000688413_100015361967 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,1,0,0,0,0|1,0,0]=2 215 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,1,0,0,0,0|2,0,0]=3 233 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,0,0,0,0|1,0,2]=4 235 B8R0.9 C=CC(=O)NCC(=C)C 1626a_100000765925_100000185746 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.9 C=CC(=O)NCC(=C)C 240690a_100000765925_200121576911 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.9 C=CC(=O)NNC(=O)C 22a_100000189765_100000185746 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [0,1,0,0,0,0|1,0,1]=3 244 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.9 CC(=O)NCC(=O)CF 1458a_100000194580_100015361967 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,1,0,0,0,0|1,0,2]=4 252 B8R0.9 CC(=O)NN=C(C)CO 4a_100000189765_100000211253 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.9 CC(=O)NNC(=O)CO 22a_100000189765_100000210174 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.9 CC(=O)OCC(=O)CF 1458a_100000183556_100015361967 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.9 CC(=O)SCC(=O)CF 1458a_100000049016_100015361967 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,0,0,0,0|1,0,1]=3 259 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,0,0,0,0|0,0,2]=3 262 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,0,0,0,0|1,0,2]=4 263 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,0,0,0,0|1,0,2]=4 264 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,1,0,0,0,0|1,0,0]=2 267 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,0,0,0,0|2,0,1]=4 268 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,0,0,0,0|2,0,1]=4 269 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,0,0,0,0|1,0,1]=3 270 B8R0.9 CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210202 [0,1,0,0,0,0|1,0,1]=3 271 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.9 CCC(=O)CNC(=O)C 1458a_100000194580_100000210202 [0,1,0,0,0,0|2,0,0]=3 273 B8R0.9 CCC(=O)CNC(=O)N 1458a_100000184981_100000210202 [0,1,0,0,0,0|2,0,0]=3 274 B8R0.9 CCC(=O)COC(=O)C 1458a_100000183556_100000210202 [0,1,0,0,0,0|2,0,0]=3 275 B8R0.9 CCC(=O)CSC(=O)C 1458a_100000049016_100000210202 [0,1,0,0,0,0|2,0,0]=3 276 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,0,0,0,0|2,0,0]=3 280 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,1,0,0,0,0|2,0,1]=4 291 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,1,0,0,0,0|2,0,1]=4 292 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,1,0,0,0,0|3,0,0]=4 295 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,1,0,0,0,0|3,0,0]=4 300 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.9 CNC(=O)C=CC(=O)C 1458a_100016259477_200000210301 [0,1,0,0,0,0|1,0,2]=4 303 B8R0.9 CNC(=O)C=CC(=O)[13CH3] 1458a_100016259477_200025704644 [0,1,0,0,0,0|1,0,2]=4 304 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,0,0,0,0|1,0,0]=2 309 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,0,0,0,0|1,0,0]=2 310 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,0,0,0,0|1,0,0]=2 312 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,0,0,0,0|2,0,1]=4 316 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,0,0,0,0|1,0,1]=3 317 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,0,0,0,0|3,0,0]=4 318 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,0,0,0,0|3,0,0]=4 319 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,0,0,0,0|3,0,0]=4 320 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,0,0,0,0|3,0,0]=4 321 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,0,0,0,0|3,0,0]=4 322 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,0,0,0,0|3,0,0]=4 324 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,0,0,0,0|3,0,0]=4 325 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,0,0,0,0|3,0,0]=4 326 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,1,0,0,0,0|1,0,1]=3 327 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,1,0,0,0,0|1,0,1]=3 328 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,1,0,0,0,0|1,0,1]=3 329 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,0,0,0,0|3,0,0]=4 330 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,0,0,0,0|2,0,0]=3 333 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,0,0,0,0|2,0,0]=3 334 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,0,0,0,0|2,0,0]=3 338 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,0,0,0,0|2,0,0]=3 339 B8R0.9 CNC(=O)CNC(=O)N 240690a_100102657272_100000184981 [0,1,0,0,0,0|2,0,0]=3 340 B8R0.9 CNC(=O)CNC(=O)N 527a_100102657272_100000184981 [0,1,0,0,0,0|2,0,0]=3 341 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,0,0,0,0|2,0,0]=3 342 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,0,0,0,0|2,0,0]=3 343 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,0,0,0,0|2,0,0]=3 344 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,0,0,0,0|2,0,0]=3 345 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,0,0,0,0|2,0,0]=3 346 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,0,0,0,0|2,0,0]=3 347 B8R0.9 CNC(=O)CSC(=O)N 240690a_100102657272_200015941356 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.9 CNC(=O)NCC(=O)N 2708a_100102657272_100000711301 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.9 CNC(=O)NCC(=O)N 273464a_100000711301_100102657272 [0,1,0,0,0,0|2,0,0]=3 350 B8R0.9 CNC(=O)NCC(=O)N 273464a_100102657272_100000711301 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.9 CNC(=O)NCC(=O)N 512a_106832991638_100000711301 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,0,0,0,0|2,0,1]=4 354 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.9 CNC(=O)NNC(=O)C 273464a_100102657272_100000189765 [0,1,0,0,0,0|3,0,0]=4 358 B8R0.9 CNC(=O)NNC(=O)C 512a_100000189765_100102657272 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,0,0,0,0|0,0,0]=1 360 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,0,0,0,0|0,0,0]=1 361 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,0,0,0,0|2,0,0]=3 362 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,0,0,0,0|2,0,0]=3 363 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,0,0,0,0|2,0,0]=3 364 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,0,0,0,0|2,0,0]=3 365 B8R0.9 COC(=O)CNC(=O)C 188690a_100000185156_100015343762 [0,1,0,0,0,0|1,0,0]=2 366 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,0,0,0,0|1,0,0]=2 372 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,0,0,0,0|1,0,0]=2 373 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,1,0,0,0,0|1,0,2]=4 374 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,1,0,0,0,0|1,0,2]=4 379 B8R0.9 C[S+](C)CCC(=O)CF 1458a_100009452791_100015361967 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,1,0,0,0,0|1,0,0]=2 381 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,1,0,0,0,0|2,0,0]=3 382 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,1,0,0,0,0|2,0,0]=3 383 B8R0.9 NC(=O)NCC(=O)CF 1458a_100000184981_100015361967 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.9 O=C(CF)CC[N+](=O)[O-] 1458a_200000064761_100015361967 [0,1,0,0,0,0|1,0,1]=3 385 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,1,0,0,0,0|2,0,1]=4 386 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,1,0,0,0,0|1,0,2]=4 387 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,1,0,0,0,0|1,0,1]=3 393 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,1,0,0,0,0|2,0,0]=3 403 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,1,0,0,0,0|2,0,0]=3 404 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,1,0,0,0,0|2,0,0]=3 405 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,0|2,0,0]=3 406 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,1,0,0,0,0|2,0,0]=3 416 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,1,0,0,0,0|2,0,1]=4 418 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,1,0,0,0,0|2,0,1]=4 419 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,1,0,0,0,0|2,0,1]=4 420 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,1,0,0,0,0|2,0,1]=4 421 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000070787_100000731031 [0,1,0,0,0,0|1,0,1]=3 422 B8R0.29 CC(=O)CCS(=O)(=O)C 1458a_100000737124_200000210301 [0,1,0,0,0,0|1,0,1]=3 423 B8R0.29 CC(=O)CCS(=O)(=O)N 1458a_100000737202_200000210301 [0,1,0,0,0,0|1,0,1]=3 424 B8R0.29 CC(=O)CCS(=O)(=O)[O-] 1458a_100000070787_100000762736 [0,1,0,0,0,0|1,0,1]=3 425 B8R0.29 CC(=O)CC[N+](C)(C)C 1458a_100000070787_100000085578 [0,1,0,0,0,0|3,0,0]=4 426 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100000070787_200000733723 [0,1,0,0,0,0|2,1,0]=4 427 B8R0.29 CC(=O)CC[Si](C)(C)C 1458a_100011215282_200000210301 [0,1,0,0,0,0|2,1,0]=4 428 B8R0.29 CC(=O)CNS(=O)(=O)C 1458a_100000737300_200000210301 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.29 CC(=O)NCC(C)(C)O 1626a_100000751335_100015343762 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.29 CC(=O)NCC(C)(C)O 240690a_100000751335_100015343762 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.29 CC(=O)NCC(C)(C)O 527a_100000751335_100103153847 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.29 CS(=O)(=O)CCC(=O)[13CH3] 1458a_100000737124_200025704644 [0,1,0,0,0,0|1,0,1]=3 436 B8R0.29 CS(=O)(=O)NCC(=O)[13CH3] 1458a_100000737300_200025704644 [0,1,0,0,0,0|2,0,1]=4 437 B8R0.29 C[Si](C)(C)CCC(=O)[13CH3] 1458a_100011215282_200025704644 [0,1,0,0,0,0|2,1,0]=4 438 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.29 [13CH3]C(=O)CCS(=O)(=O)N 1458a_100000737202_200025704644 [0,1,0,0,0,0|1,0,1]=3 440 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,0,0,1,0,0|2,0,0]=3 441 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,0,0,1,0,0|2,0,0]=3 442 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,0,0,1,0,0|2,0,1]=4 443 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,0,0,1,0,0|2,0,1]=4 444 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,0,0,1,0,0|3,0,0]=4 445 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,0,0,1,0,0|2,0,1]=4 446 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,0,0,1,0,0|2,0,1]=4 447 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,0,0,1,0,0|2,0,1]=4 448 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,0,0,1,0,0|1,0,0]=2 449 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,0,0,1,0,0|1,0,1]=3 450 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,0,0,1,0,0|2,0,1]=4 451 B8R1.23 CN(C)C1CC(=O)C1 269982a_100102631434_100009894365 [0,0,0,1,0,0|3,0,0]=4 452 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,0,0,1,0,0|3,0,0]=4 453 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,0,0,1,0,0|3,0,0]=4 454 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,0,0,1,0,0|2,0,1]=4 455 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,0,0,1,0,0|1,0,0]=2 456 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,0,0,1,0,0|1,0,1]=3 457 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,0,0,1,0,0|3,0,0]=4 458 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,0,1,0,0|2,0,1]=4 459 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,0,1,0,0|2,0,1]=4 460 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,0,1,0,0|1,0,1]=3 461 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,0,1,0,0|2,0,1]=4 462 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,0,1,0,0|2,0,1]=4 463 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|2,0,1]=4 465 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|2,0,1]=4 466 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,0,1,0,0|2,0,1]=4 467 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [0,0,0,0,1,0|2,0,0]=3 468 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [0,0,0,0,1,0|2,0,0]=3 469 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [0,0,0,0,1,0|2,0,1]=4 470 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [0,0,0,0,1,0|2,0,1]=4 471 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [0,0,0,0,1,0|2,0,1]=4 472 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [0,0,0,0,1,0|2,0,1]=4 473 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [0,0,0,0,1,0|2,0,1]=4 474 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [0,0,0,0,1,0|2,0,1]=4 475 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [0,0,0,0,1,0|2,0,1]=4 476 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [0,0,0,0,1,0|1,0,0]=2 477 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [0,0,0,0,1,0|1,0,0]=2 478 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [0,0,0,0,1,0|0,0,1]=2 479 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [0,0,0,0,1,0|2,0,1]=4 480 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [0,0,0,0,1,0|2,0,1]=4 481 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [0,0,0,0,1,0|1,0,1]=3 482 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [0,0,0,0,1,0|2,0,1]=4 483 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [0,0,0,0,1,0|3,0,0]=4 484 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [0,0,0,0,1,0|1,0,1]=3 485 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [0,0,0,0,1,0|1,0,1]=3 486 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [0,0,0,0,1,0|3,0,0]=4 487 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [0,0,0,0,1,0|2,0,1]=4 488 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [0,0,0,0,1,0|3,0,0]=4 489 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [0,0,0,0,1,0|3,0,0]=4 490 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [0,0,0,0,1,0|3,0,0]=4 491 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [0,0,0,0,1,0|2,0,0]=3 492 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [0,0,0,0,1,0|3,0,0]=4 493 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [0,0,0,0,1,0|2,0,1]=4 494 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [0,0,0,0,1,0|3,0,0]=4 495 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [0,0,0,0,1,0|2,0,0]=3 496 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [0,0,0,0,1,0|1,0,1]=3 497 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [0,0,0,0,1,0|3,0,0]=4 498 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [0,0,0,0,1,0|2,0,1]=4 499 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [0,0,0,0,1,0|1,0,0]=2 500 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,0,0,0,0,1|2,0,0]=3 501 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,0,0,0,0,1|1,0,0]=2 502 B8R0.28 C=C(C)CNCC(C)O 2230a_100000210904_100000748629 [0,0,0,0,0,1|2,0,1]=4 503 B8R0.28 C=C(C)CNCC(C)O 34a_100000210904_100000748629 [0,0,0,0,0,1|2,0,1]=4 504 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,0,0,0,0,1|3,0,0]=4 505 B8R0.28 C=C(C)COCC(=C)C 34a_100000210245_100000748629 [0,0,0,0,0,1|3,0,0]=4 506 B8R0.28 C=C(C)COCC(=C)F 34a_100000210245_100009893438 [0,0,0,0,0,1|3,0,0]=4 507 B8R0.28 C=C(C)COCC(=C)F 34a_200010262243_100000748629 [0,0,0,0,0,1|3,0,0]=4 508 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,0,0,0,0,1|2,0,0]=3 509 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,0,0,0,0,1|2,0,0]=3 510 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,0,0,0,0,1|1,0,1]=3 511 B8R0.28 C=C(C)COCC(C)O 34a_100000210245_100011218427 [0,0,0,0,0,1|2,0,1]=4 512 B8R0.28 C=C(C)COC[C@@H](C)O 34a_100000210245_100009817552 [0,0,0,0,0,1|2,0,1]=4 513 B8R0.28 C=C(C)COC[N+](=O)[O-] 34a_100000210245_100000761209 [0,0,0,0,0,1|2,0,1]=4 514 B8R0.28 C=C(C)CSCC(=C)C 62a_100000748629_100000211660 [0,0,0,0,0,1|3,0,0]=4 515 B8R0.28 C=C(C)CSCC(=C)F 62a_100000042424_100000211660 [0,0,0,0,0,1|3,0,0]=4 516 B8R0.28 C=C(C)CSCC(=C)F 62a_100000748629_100000042424 [0,0,0,0,0,1|3,0,0]=4 517 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,0,0,0,0,1|2,0,0]=3 518 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,0,0,0,0,1|2,0,0]=3 519 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,0,0,0,0,1|1,0,1]=3 520 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,0,0,0,0,1|1,0,1]=3 521 B8R0.28 C=C(C)CSCC(C)O 62a_100000748629_100011218427 [0,0,0,0,0,1|2,0,1]=4 522 B8R0.28 C=C(C)CSCC(C)O 62a_100011218427_100000211660 [0,0,0,0,0,1|2,0,1]=4 523 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100000748629_100009817552 [0,0,0,0,0,1|2,0,1]=4 524 B8R0.28 C=C(C)CSC[C@@H](C)O 62a_100009817552_100000211660 [0,0,0,0,0,1|2,0,1]=4 525 B8R0.28 C=C(C)CSC[N+](=O)[O-] 62a_100000748629_100000761209 [0,0,0,0,0,1|2,0,1]=4 526 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [0,0,0,0,0,1|2,0,1]=4 527 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,0,0,0,0,1|1,0,1]=3 528 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,0,0,0,0,1|2,0,0]=3 529 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [0,0,0,0,0,1|2,0,1]=4 530 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [0,0,0,0,0,1|1,0,2]=4 531 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [0,0,0,0,0,1|2,0,1]=4 532 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [0,0,0,0,0,1|2,0,1]=4 533 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100000042424_100020667443 [0,0,0,0,0,1|1,0,2]=4 534 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100020667443_100000042424 [0,0,0,0,0,1|1,0,2]=4 535 B8R0.28 CC(=O)C/C=C/B(O)O 1458a_100000070787_100016262062 [0,0,0,0,0,1|1,0,2]=4 536 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,0,0,0,0,1|2,0,0]=3 537 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,0,0,0,0,1|2,0,0]=3 538 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,0,0,0,0,1|1,0,0]=2 539 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,0,0,0,0,1|1,0,0]=2 540 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,0,0,0,0,1|2,0,1]=4 541 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,0,0,0,0,1|2,0,1]=4 542 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,0,0,0,0,1|1,0,1]=3 543 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,0,0,0,0,1|3,0,0]=4 544 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,0,0,0,0,1|3,0,0]=4 545 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,0,0,0,0,1|1,0,1]=3 546 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,0,0,0,0,1|2,0,0]=3 547 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,0,0,0,0,1|1,0,0]=2 548 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,0,0,0,0,1|1,0,0]=2 549 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,0,0,0,0,1|1,0,0]=2 550 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,0,0,0,0,1|1,0,0]=2 551 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,0,0,0,0,1|1,0,0]=2 552 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,0,0,0,0,1|1,0,0]=2 553 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,0,0,0,0,1|2,0,1]=4 554 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,0,0,0,0,1|2,0,1]=4 555 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,0,0,0,0,1|2,0,1]=4 556 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,0,0,0,0,1|1,0,0]=2 557 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,0,0,0,0,1|2,0,1]=4 558 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,0,0,0,0,1|2,0,1]=4 559 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,0,0,0,0,1|2,0,1]=4 560 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,0,0,0,0,1|1,0,0]=2 561 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,0,0,0,0,1|1,0,0]=2 562 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,0,0,0,0,1|0,0,1]=2 563 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,0,0,0,0,1|2,0,1]=4 564 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,0,0,0,0,1|2,0,1]=4 565 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,0,0,0,0,1|1,0,1]=3 566 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,0,0,0,0,1|2,0,1]=4 567 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,0,0,0,0,1|1,0,1]=3 568 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [0,0,0,0,0,1|1,0,1]=3 569 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,0,0,0,0,1|2,0,1]=4 570 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,0,0,0,0,1|2,0,1]=4 571 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,0,0,0,0,1|2,0,1]=4 572 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,0,0,0,0,1|1,0,0]=2 573 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,0,0,0,0,1|1,0,0]=2 574 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,0,0,0,0,1|1,0,0]=2 575 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,0,0,0,0,1|1,0,0]=2 576 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,0,0,0,0,1|2,0,1]=4 577 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,0,0,0,0,1|2,0,1]=4 578 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,0,0,0,0,1|2,0,1]=4 579 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,0,0,0,0,1|2,0,1]=4 580 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,0,0,0,0,1|1,0,1]=3 581 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,0,0,0,0,1|1,0,1]=3 582 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,0,0,0,0,1|3,0,0]=4 583 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,0,0,0,0,1|3,0,0]=4 584 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,0,0,0,0,1|3,0,0]=4 585 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,0,0,0,0,1|3,0,0]=4 586 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,0,0,0,0,1|2,0,1]=4 587 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,0,0,0,0,1|3,0,0]=4 588 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,0,0,0,0,1|1,0,0]=2 589 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,0,0,0,0,1|2,0,1]=4 590 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,0,0,0,0,1|1,0,2]=4 591 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,0,0,0,0,1|2,0,1]=4 592 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,0,0,0,0,1|2,0,1]=4 593 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,0,0,0,0,1|2,0,1]=4 594 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,0,0,0,0,1|2,0,1]=4 595 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,0,0,0,0,1|1,0,1]=3 596 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,0,0,0,0,1|1,0,2]=4 597 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,0,0,0,0,1|2,0,1]=4 598 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,0,0,0,0,1|2,0,1]=4 599 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,0,0,0,0,1|1,0,2]=4 600 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,0,0,0,0,1|2,0,1]=4 601 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,0,0,0,0,1|2,0,1]=4 602 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,0,0,0,0,1|1,0,2]=4 603 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,0,0,0,0,1|1,0,2]=4 604 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,0,0,0,0,1|2,0,1]=4 605 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,0,0,0,0,1|2,0,1]=4 606 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,0,0,0,0,1|2,0,1]=4 607 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,0,0,0,0,1|2,0,1]=4 608 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,0,0,0,0,1|2,0,1]=4 609 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,0,0,0,0,1|2,0,1]=4 610 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,0,0,0,0,1|2,0,1]=4 611 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,0,0,0,0,1|2,0,1]=4 612 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,0,0,0,0,1|2,0,1]=4 613 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,0,0,0,0,1|1,0,2]=4 614 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,0,0,0,0,1|1,0,2]=4 615 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,0,0,0,0,1|1,0,2]=4 616 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,1|1,0,2]=4 617 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,0,0,0,0,1|0,0,2]=3 618 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,1|0,0,3]=4 619 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,0,0,0,0,1|1,0,2]=4 620 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,0,0,0,0,1|1,0,2]=4 621 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,0,0,0,0,1|0,0,3]=4 622 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,0,0,0,0,1|0,0,3]=4 623 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,0,0,0,0,1|3,0,0]=4 624 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,0,0,0,0,1|2,0,0]=3 625 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,0,0,0,0,1|3,0,0]=4 626 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,0,0,0,0,1|3,0,0]=4 627 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,0,0,0,0,1|3,0,0]=4 628 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,0,0,0,0,1|2,0,0]=3 629 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,0,0,0,0,1|2,0,1]=4 630 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,0,0,0,0,1|1,0,2]=4 631 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,0,0,0,0,1|2,0,1]=4 632 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,0,0,0,0,1|1,0,2]=4 633 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,0,0,0,0,1|1,0,2]=4 634 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,0,0,0,0,1|0,0,2]=3 635 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,0,0,0,0,1|1,0,2]=4 636 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,0,0,0,0,1|1,0,2]=4 637 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,0,0,0,0,1|0,0,3]=4 638 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,0,0,0,0,1|0,0,3]=4 639 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,0,0,0,0,1|2,0,0]=3 640 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,0,0,0,0,1|1,0,0]=2 641 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,0,0,0,0,1|2,0,0]=3 642 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,0,0,0,0,1|1,0,1]=3 643 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,0,0,0,0,1|1,0,1]=3 644 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [0,0,0,0,0,1|2,0,1]=4 645 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,0,0,0,0,1|2,0,1]=4 646 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,0,0,0,0,1|2,0,0]=3 647 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,0,0,0,0,1|1,0,0]=2 648 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,0,0,0,0,1|1,0,1]=3 649 B8R0.28 O=C([O-])CSC[N+](=O)[O-] 62a_100020667443_100000761209 [0,0,0,0,0,1|2,0,1]=4 650 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,0,0,0,0,1|1,0,1]=3 651 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,0,0,0,0,1|2,0,0]=3 652 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,0,0,0,0,1|1,0,0]=2 653 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,0,0,0,0,1|1,0,0]=2 654 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|0,0,2]=4 655 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|0,0,2]=4 656 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|0,0,2]=4 657 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|0,0,1]=3 658 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|0,0,1]=3 659 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|0,0,1]=3 660 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,1]=4 661 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,1]=4 662 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,1]=4 663 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 664 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 665 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,0]=3 666 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,0,0]=2 667 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,0,0]=2 668 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|1,0,1]=4 669 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 670 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 671 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,1]=3 672 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,1]=3 673 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,1]=3 674 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 675 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|1,0,1]=4 676 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|1,0,1]=4 677 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|2,0,0]=4 678 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|2,0,0]=4 679 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|2,0,0]=4 680 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|2,0,0]=4 681 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|2,0,0]=4 682 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|2,0,0]=4 684 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|2,0,0]=4 685 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 686 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 687 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 688 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 689 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 690 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 691 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|1,0,1]=4 692 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|1,0,1]=4 693 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 694 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|1,0,1]=4 695 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 696 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|1,0,1]=4 697 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 698 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 699 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|1,0,1]=4 700 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 701 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 702 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,1]=4 703 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,1]=4 704 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,1]=4 705 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 706 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,0,0]=2 707 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 708 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 709 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 710 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 711 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 712 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 713 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [2,0,0,0,0,0|2,0,0]=4 714 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 715 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [2,0,0,0,0,0|2,0,0]=4 716 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [2,0,0,0,0,0|2,0,0]=4 717 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [2,0,0,0,0,0|2,0,0]=4 718 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [2,0,0,0,0,0|2,0,0]=4 719 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [2,0,0,0,0,0|2,0,0]=4 720 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [2,0,0,0,0,0|2,0,0]=4 721 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [2,0,0,0,0,0|2,0,0]=4 722 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [2,0,0,0,0,0|2,0,0]=4 723 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [2,0,0,0,0,0|2,0,0]=4 724 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [2,0,0,0,0,0|2,0,0]=4 725 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|1,0,1]=4 726 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [2,0,0,0,0,0|1,0,1]=4 727 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [2,0,0,0,0,0|1,0,1]=4 728 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [2,0,0,0,0,0|1,0,1]=4 729 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,1]=4 730 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,1]=4 731 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,1]=4 732 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,1]=4 733 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,1]=4 734 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,1]=4 735 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,1]=4 736 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,1]=4 737 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [1,1,0,0,0,0|1,0,0]=3 738 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [1,1,0,0,0,0|1,0,0]=3 739 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|0,0,1]=3 740 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|1,0,1]=4 741 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|1,0,1]=4 742 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,1]=4 743 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,1]=4 744 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,1]=4 745 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,1]=4 746 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,1]=4 747 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,1]=4 748 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,1]=4 749 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,1]=4 750 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,1]=4 751 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,1]=4 752 B7R0.3 C#CC(=O)C/C=C/C 1458a_100000211873_100102629194 [1,1,0,0,0,0|1,0,1]=4 753 B7R0.3 C#CC(=O)CC=CC 1458a_100000211873_100000070051 [1,1,0,0,0,0|1,0,1]=4 754 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [1,1,0,0,0,0|1,0,1]=4 755 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,1,0,0,0,0|1,0,1]=4 756 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,1,0,0,0,0|0,0,2]=4 757 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,1,0,0,0,0|2,0,0]=4 758 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,1,0,0,0,0|2,0,0]=4 759 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,1,0,0,0,0|1,0,1]=4 760 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,1,0,0,0,0|1,0,1]=4 761 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [1,1,0,0,0,0|1,0,1]=4 762 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,1,0,0,0,0|0,0,2]=4 763 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,1,0,0,0,0|1,0,1]=4 764 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 765 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 766 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,1,0,0,0,0|1,0,1]=4 767 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [1,1,0,0,0,0|0,0,1]=3 769 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,1,0,0,0,0|1,0,1]=4 770 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,1,0,0,0,0|1,0,1]=4 771 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,1,0,0,0,0|1,0,1]=4 772 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,1,0,0,0,0|0,0,2]=4 773 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,1,0,0,0,0|1,0,1]=4 776 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,1,0,0,0,0|1,0,0]=3 777 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,1,0,0,0,0|1,0,0]=3 778 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [1,1,0,0,0,0|1,0,0]=3 779 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,1,0,0,0,0|0,0,1]=3 780 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,1,0,0,0,0|1,0,0]=3 781 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,1,0,0,0,0|1,0,0]=3 782 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,1,0,0,0,0|1,0,0]=3 783 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,1,0,0,0,0|1,0,0]=3 784 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [1,1,0,0,0,0|2,0,0]=4 785 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [1,1,0,0,0,0|2,0,0]=4 786 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [1,1,0,0,0,0|2,0,0]=4 787 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [1,1,0,0,0,0|1,0,1]=4 788 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [1,1,0,0,0,0|1,0,1]=4 789 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [1,1,0,0,0,0|2,0,0]=4 790 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [1,1,0,0,0,0|2,0,0]=4 791 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [1,1,0,0,0,0|2,0,0]=4 792 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [1,1,0,0,0,0|2,0,0]=4 793 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [1,1,0,0,0,0|2,0,0]=4 794 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [1,1,0,0,0,0|0,0,2]=4 795 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.3 CC=CCC(=O)CF 1458a_100121576822_100015361967 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [1,1,0,0,0,0|0,0,1]=3 799 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 801 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 802 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,1,0,0,0,0|1,0,1]=4 803 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,1,0,0,0,0|1,0,1]=4 804 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,1,0,0,0,0|1,0,1]=4 805 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,1,0,0,0,0|1,0,1]=4 806 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,0,1]=3 807 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|2,0,0]=4 808 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|2,0,0]=4 809 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,1,0,0,0,0|2,0,0]=4 810 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 812 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|1,0,1]=4 813 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,1,0,0,0,0|1,0,1]=4 814 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,1,0,0,0,0|1,0,1]=4 815 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,1,0,0,0,0|1,0,1]=4 816 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|0,0,1]=3 817 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 819 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 820 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,1,0,0,0,0|1,0,1]=4 821 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 822 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 823 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,1,0,0,0,0|1,0,1]=4 824 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,1,0,0,0,0|1,0,1]=4 825 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,1,0,0,0,0|1,0,1]=4 826 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,1,0,0,0,0|1,0,1]=4 827 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,1,0,0,0,0|1,0,1]=4 828 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 830 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,1,0,0,0,0|1,0,1]=4 831 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 832 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,1,0,0,0,0|2,0,0]=4 833 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,1,0,0,0,0|2,0,0]=4 834 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 835 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 836 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,1,0,0,0,0|2,0,0]=4 838 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,1,0,0,0,0|2,0,0]=4 839 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,1,0,0,0,0|2,0,0]=4 840 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,1,0,0,0,0|2,0,0]=4 841 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 842 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 843 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,1,0,0,0,0|2,0,0]=4 844 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,1,0,0,0,0|2,0,0]=4 845 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,1,0,0,0,0|2,0,0]=4 846 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,1,0,0,0,0|2,0,0]=4 847 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,1,0,0,0,0|2,0,0]=4 848 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,1,0,0,0,0|1,0,1]=4 849 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,1,0,0,0,0|1,0,1]=4 850 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,1,0,0,0,0|1,0,1]=4 851 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,1,0,0,0,0|1,0,1]=4 852 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 854 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,1,0,0,0,0|2,0,0]=4 855 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,1,0,0,0,0|2,0,0]=4 856 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,1,0,0,0,0|2,0,0]=4 857 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 858 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,1,0,0,0,0|1,0,0]=3 859 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,1,0,0,0,0|1,0,0]=3 860 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,1,0,0,0,0|1,0,0]=3 861 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,1,0,0,0,0|1,0,0]=3 862 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,1,0,0,0,0|1,0,0]=3 863 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,1,0,0,0,0|1,0,0]=3 864 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [1,1,0,0,0,0|2,0,0]=4 867 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,1,0,0,0,0|2,0,0]=4 868 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,0]=3 869 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,1,0,0,0,0|1,0,0]=3 870 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,1,0,0,0,0|2,0,0]=4 871 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,0]=3 872 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [1,1,0,0,0,0|1,0,1]=4 873 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,1,0,0,0,0|1,0,1]=4 874 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,1]=4 875 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|0,0,1]=3 876 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,1,0,0,0,0|1,0,1]=4 877 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,1,0,0,0,0|1,0,1]=4 878 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [1,1,0,0,0,0|2,0,0]=4 879 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,1,0,0,0,0|1,0,1]=4 880 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,1,0,0,0,0|1,0,1]=4 881 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,1,0,0,0,0|1,0,1]=4 882 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 883 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 884 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,1,0,0,0,0|1,0,1]=4 885 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,1,0,0,0,0|1,0,1]=4 886 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,1,0,0,0,0|0,0,2]=4 887 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [1,1,0,0,0,0|1,0,1]=4 889 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [1,1,0,0,0,0|1,0,1]=4 890 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [1,1,0,0,0,0|1,0,1]=4 891 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [1,1,0,0,0,0|1,0,0]=3 893 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [1,1,0,0,0,0|1,0,1]=4 894 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [1,1,0,0,0,0|1,0,0]=3 895 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [1,1,0,0,0,0|1,0,0]=3 896 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [1,1,0,0,0,0|1,0,1]=4 897 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [1,1,0,0,0,0|1,0,1]=4 899 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [1,1,0,0,0,0|1,0,1]=4 900 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [1,1,0,0,0,0|1,0,1]=4 901 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,1,0,0,0,0|1,0,0]=3 902 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,1,0,0,0,0|1,0,0]=3 903 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,1,0,0,0,0|1,0,0]=3 904 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,1,0,0,0,0|1,0,0]=3 905 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,1,0,0,0,0|1,0,0]=3 906 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,1,0,0,0,0|1,0,0]=3 907 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,1,0,0,0,0|1,0,0]=3 908 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,1,0,0,0,0|2,0,0]=4 909 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,1,0,0,0,0|1,0,1]=4 910 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,1,0,0,0,0|1,0,1]=4 911 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,1,0,0,0,0|0,0,1]=3 912 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,1,0,0,0,0|2,0,0]=4 913 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,1,0,0,0,0|2,0,0]=4 914 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,1,0,0,0,0|2,0,0]=4 915 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,1,0,0,0,0|1,0,0]=3 916 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,1,0,0,0,0|1,0,1]=4 917 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,1,0,0,0,0|0,0,2]=4 918 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [1,1,0,0,0,0|2,0,0]=4 919 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [1,1,0,0,0,0|2,0,0]=4 920 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,1,0,0,0,0|1,0,0]=3 921 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,1,0,0,0,0|1,0,1]=4 922 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,1,0,0,0,0|1,0,1]=4 923 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,1,0,0,0,0|1,0,0]=3 924 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,1,0,0,0,0|0,0,2]=4 925 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,1,0,0,0,0|0,0,2]=4 926 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,1,0,0,0,0|1,0,0]=3 927 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [1,1,0,0,0,0|0,0,2]=4 928 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,1,0,0,0,0|1,0,1]=4 929 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,1,0,0,0,0|1,0,1]=4 930 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,1,0,0,0,0|1,0,1]=4 931 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,1,0,0,0,0|0,0,1]=3 932 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,1,0,0,0,0|0,0,1]=3 933 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,1,0,0,0,0|0,0,1]=3 934 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,1,0,0,0,0|0,0,1]=3 935 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,1,0,0,0,0|0,1,1]=4 936 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,1,0,0,0,0|0,1,1]=4 937 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [1,1,0,0,0,0|2,0,0]=4 938 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,1,0,0,0,0|1,0,1]=4 939 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,1,0,0,0,0|1,0,1]=4 940 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,1,0,0,0,0|1,0,1]=4 941 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,1,0,0,0,0|1,0,1]=4 942 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,1,0,0,0,0|0,0,0]=2 943 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,1,0,0,0,0|0,0,1]=3 945 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,1,0,0,0,0|0,0,1]=3 946 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [1,1,0,0,0,0|1,0,1]=4 947 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 948 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 949 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,1,0,0,0,0|1,0,1]=4 950 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,1,0,0,0,0|1,0,1]=4 951 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,1,0,0,0,0|1,0,1]=4 953 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,1,0,0,0,0|1,0,1]=4 954 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,1,0,0,0,0|1,0,1]=4 955 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,1,0,0,0,0|0,0,1]=3 956 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,1,0,0,0,0|0,0,1]=3 957 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,1,0,0,0,0|2,0,0]=4 958 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,1,0,0,0,0|2,0,0]=4 960 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,1,0,0,0,0|2,0,0]=4 961 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,1,0,0,0,0|1,0,1]=4 962 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,1,0,0,0,0|2,0,0]=4 963 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,1,0,0,0,0|2,0,0]=4 964 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [1,1,0,0,0,0|1,0,1]=4 965 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [1,1,0,0,0,0|1,0,1]=4 966 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [1,1,0,0,0,0|1,0,1]=4 967 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [1,1,0,0,0,0|1,0,1]=4 969 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [1,1,0,0,0,0|1,0,1]=4 970 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [1,1,0,0,0,0|1,0,1]=4 971 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [1,1,0,0,0,0|0,0,2]=4 972 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [1,1,0,0,0,0|0,0,2]=4 973 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [1,1,0,0,0,0|0,0,2]=4 974 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [1,1,0,0,0,0|0,0,2]=4 975 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,1,0,0,0,0|1,0,1]=4 976 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,1,0,0,0,0|1,0,1]=4 977 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,1,0,0,0,0|1,0,1]=4 978 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,1,0,0,0,0|1,0,1]=4 979 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,1,0,0,0,0|1,0,1]=4 980 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,1,0,0,0,0|1,0,1]=4 981 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,1,0,0,0,0|1,0,1]=4 982 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,1,0,0,0,0|1,0,1]=4 983 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,1,0,0,0,0|1,0,1]=4 984 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,1,0,0,0,0|1,0,1]=4 985 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,1,0,0,0,0|1,0,1]=4 986 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,1,0,0,0,0|0,0,1]=3 987 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,1,0,0,0,0|1,0,1]=4 988 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,1,0,0,0,0|1,0,1]=4 989 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,1,0,0,0,0|1,0,1]=4 991 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,1,0,0,0,0|0,0,2]=4 992 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,1,0,0,0,0|1,0,1]=4 993 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,1,0,0,0,0|1,0,1]=4 994 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,1,0,0,0,0|1,0,1]=4 995 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,1,0,0,0,0|0,0,2]=4 997 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,1,0,0,0,0|0,0,2]=4 998 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [1,1,0,0,0,0|1,0,1]=4 1000 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,1,0,0,0,0|1,0,1]=4 1001 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,1,0,0,0,0|1,0,1]=4 1002 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1003 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,1,0,0,0,0|1,0,1]=4 1004 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1005 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,1,0,0,0,0|1,0,1]=4 1006 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,1,0,0,0,0|1,0,1]=4 1007 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,1,0,0,0,0|1,0,1]=4 1008 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,1,0,0,0,0|1,0,1]=4 1009 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,1,0,0,0,0|1,0,1]=4 1013 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,1,0,0,0,0|1,0,1]=4 1014 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,1,0,0,0,0|1,0,1]=4 1015 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [1,1,0,0,0,0|2,0,0]=4 1017 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,1,0,0,0,0|1,0,1]=4 1018 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,1,0,0,0,0|1,0,1]=4 1019 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,1,0,0,0,0|1,0,1]=4 1020 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,1,0,0,0,0|1,0,1]=4 1021 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,1,0,0,0,0|1,0,1]=4 1022 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,1,0,0,0,0|2,0,0]=4 1023 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1026 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,1,0,0,0,0|2,0,0]=4 1027 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,1,0,0,0,0|2,0,0]=4 1028 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,1,0,0,0,0|2,0,0]=4 1031 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,1,0,0,0,0|2,0,0]=4 1032 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,1,0,0,0,0|0,0,1]=3 1033 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,1,0,0,0,0|0,0,1]=3 1034 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,1,0,0,0,0|0,0,1]=3 1035 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,1,0,0,0,0|0,0,1]=3 1036 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,1,0,0,0,0|0,0,1]=3 1037 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,1,0,0,0,0|1,0,1]=4 1038 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,1,0,0,0,0|0,0,1]=3 1039 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,1,0,0,0,0|1,0,1]=4 1040 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,1,0,0,0,0|1,0,1]=4 1041 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,1,0,0,0,0|1,0,1]=4 1042 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,1,0,0,0,0|1,0,1]=4 1043 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,1,0,0,0,0|2,0,0]=4 1044 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,1,0,0,0,0|1,0,1]=4 1045 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,1,0,0,0,0|1,0,0]=3 1049 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [1,1,0,0,0,0|2,0,0]=4 1051 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [1,1,0,0,0,0|1,0,1]=4 1052 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,1,0,0,0,0|0,1,1]=4 1054 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,1,0,0,0,0|0,1,1]=4 1055 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,1,0,0,0,0|0,1,1]=4 1056 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,1,0,0,0,0|0,1,1]=4 1059 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1060 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1061 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,1,0,0,0,0|2,0,0]=4 1062 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,1,0,0,0,0|2,0,0]=4 1063 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,1,0,0,0,0|2,0,0]=4 1064 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,1,0,0,0,0|2,0,0]=4 1065 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,1,0,0,0,0|2,0,0]=4 1066 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,1,0,0,0,0|2,0,0]=4 1067 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,1,0,0,0,0|2,0,0]=4 1068 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,1,0,0,0,0|2,0,0]=4 1069 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,1,0,0,0,0|2,0,0]=4 1070 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,1,0,0,0,0|2,0,0]=4 1071 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [1,1,0,0,0,0|2,0,0]=4 1072 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,1,0,0,0,0|1,0,0]=3 1073 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,1,0,0,0,0|2,0,0]=4 1074 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [1,1,0,0,0,0|2,0,0]=4 1075 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [1,1,0,0,0,0|2,0,0]=4 1076 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [1,1,0,0,0,0|1,0,1]=4 1077 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [1,1,0,0,0,0|1,0,1]=4 1078 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [1,1,0,0,0,0|1,0,1]=4 1079 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [1,1,0,0,0,0|1,0,1]=4 1080 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [1,1,0,0,0,0|0,0,2]=4 1081 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [1,1,0,0,0,0|0,0,2]=4 1082 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,1,0,0,0,0|1,0,1]=4 1083 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1084 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1085 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [1,1,0,0,0,0|2,0,0]=4 1086 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [1,1,0,0,0,0|2,0,0]=4 1087 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,1,0,0,0,0|1,0,0]=3 1088 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [1,1,0,0,0,0|1,0,1]=4 1089 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [1,1,0,0,0,0|1,0,1]=4 1090 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [1,1,0,0,0,0|1,0,1]=4 1091 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,1,0,0,0,0|1,0,0]=3 1092 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,1,0,0,0,0|1,0,0]=3 1093 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [1,1,0,0,0,0|1,0,1]=4 1094 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [1,1,0,0,0,0|1,0,1]=4 1095 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,1,0,0,0,0|1,0,1]=4 1096 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,1,0,0,0,0|0,0,2]=4 1097 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [1,1,0,0,0,0|2,0,0]=4 1098 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [1,1,0,0,0,0|1,0,1]=4 1099 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [1,1,0,0,0,0|1,0,1]=4 1101 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,1,0,0,0,0|0,0,0]=2 1102 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,1,0,0,0,0|0,0,1]=3 1103 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,1,0,0,0,0|0,0,1]=3 1104 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [1,1,0,0,0,0|1,0,1]=4 1105 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,1,0,0,0,0|1,0,1]=4 1106 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,1,0,0,0,0|0,0,1]=3 1107 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [1,1,0,0,0,0|2,0,0]=4 1108 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,1,0,0,0,0|0,0,1]=3 1109 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,1,0,0,0,0|1,0,1]=4 1111 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,1,0,0,0,0|2,0,0]=4 1113 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,1,0,0,0,0|1,0,1]=4 1115 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,1,0,0,0,0|1,0,1]=4 1116 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,1,0,0,0,0|2,0,0]=4 1117 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,1,0,0,0,0|2,0,0]=4 1118 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,1,0,0,0,0|2,0,0]=4 1119 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,1,0,0,0,0|2,0,0]=4 1120 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,1,0,0,0,0|1,0,0]=3 1121 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,1,0,0,0,0|1,0,0]=3 1122 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 1123 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 1124 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 1125 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [1,1,0,0,0,0|2,0,0]=4 1126 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|0,0,1]=3 1128 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|2,0,0]=4 1130 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|1,0,1]=4 1131 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|1,0,1]=4 1132 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,0]=3 1133 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,1]=4 1134 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,1]=4 1135 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|1,0,1]=4 1137 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,0]=3 1140 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,0]=3 1141 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|2,0,0]=4 1142 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 1144 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,0]=3 1150 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1151 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [0,1,0,0,1,0|1,0,1]=4 1152 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [0,1,0,0,1,0|1,0,1]=4 1153 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [0,1,0,0,1,0|1,0,1]=4 1154 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [0,1,0,0,1,0|1,0,1]=4 1155 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [0,1,0,0,1,0|1,0,1]=4 1156 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [0,1,0,0,1,0|1,0,1]=4 1157 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,1,0|1,0,0]=3 1158 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,1,0|1,0,0]=3 1159 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,1,0|1,0,0]=3 1160 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,1,0|0,0,1]=3 1161 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,1,0|2,0,0]=4 1162 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,1,0|2,0,0]=4 1163 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [0,1,0,0,0,1|2,0,0]=4 1164 B9R0.1 C#CC(=O)CCCC(=O)C 1458a_100000211873_100011215641 [0,1,0,0,0,1|1,0,0]=3 1165 B9R0.1 C#CC(=O)CCCC(=O)N 1458a_100000211873_100102525003 [0,1,0,0,0,1|1,0,1]=4 1166 B9R0.1 C#CC(=O)CCNC(=O)C 1458a_100000211873_100000189650 [0,1,0,0,0,1|1,0,0]=3 1167 B9R0.1 C#CC(=O)CCNC(=O)N 1458a_100000211873_200000034859 [0,1,0,0,0,1|1,0,1]=4 1168 B9R0.1 C#CC(=O)CCOC(=O)C 1458a_100000211873_100009814007 [0,1,0,0,0,1|1,0,0]=3 1169 B9R0.1 C#CC(=O)CCOC(=O)N 1458a_100000211873_200011214921 [0,1,0,0,0,1|1,0,1]=4 1170 B9R0.1 C=C(C#N)CNCC(=O)O 269956a_100016091260_100000694840 [0,1,0,0,0,1|1,0,1]=4 1171 B9R0.1 C=C(C#N)COCC(=O)C 34a_100000211253_100000694840 [0,1,0,0,0,1|2,0,0]=4 1172 B9R0.1 C=C(C)CNCC(=O)NC 2230a_100000693194_100000748629 [0,1,0,0,0,1|2,0,0]=4 1173 B9R0.1 C=C(C)CNNC(=O)CO 22a_100000729518_100000210174 [0,1,0,0,0,1|2,0,0]=4 1174 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [0,1,0,0,0,1|2,0,0]=4 1175 B9R0.1 C=C(C)COCC(=O)NC 34a_100000210245_100000183359 [0,1,0,0,0,1|2,0,0]=4 1176 B9R0.1 C=C(C)COCC(=O)NC 34a_100000750040_100000748629 [0,1,0,0,0,1|2,0,0]=4 1177 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [0,1,0,0,0,1|1,0,0]=3 1178 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [0,1,0,0,0,1|2,0,0]=4 1179 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [0,1,0,0,0,1|2,0,0]=4 1180 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000183359_100000211660 [0,1,0,0,0,1|2,0,0]=4 1181 B9R0.1 C=C(C)CSCC(=O)NC 62a_100000748629_100000183359 [0,1,0,0,0,1|2,0,0]=4 1182 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [0,1,0,0,0,1|1,0,0]=3 1183 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [0,1,0,0,0,1|1,0,0]=3 1184 B9R0.1 C=C(F)CNCC(=O)NC 2230a_100000693194_100009893438 [0,1,0,0,0,1|2,0,0]=4 1185 B9R0.1 C=C(F)COCC(=O)CC 34a_100000725409_100009893438 [0,1,0,0,0,1|2,0,0]=4 1186 B9R0.1 C=C(F)COCC(=O)NC 34a_100000750040_100009893438 [0,1,0,0,0,1|2,0,0]=4 1187 B9R0.1 C=C(F)COCC(=O)NC 34a_200010262243_100000183359 [0,1,0,0,0,1|2,0,0]=4 1188 B9R0.1 C=C(F)COCC(=O)OC 34a_200010262243_100000747449 [0,1,0,0,0,1|1,0,1]=4 1189 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000042424_100000747405 [0,1,0,0,0,1|2,0,0]=4 1190 B9R0.1 C=C(F)CSCC(=O)CC 62a_100000747405_100000042424 [0,1,0,0,0,1|2,0,0]=4 1191 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000042424_100000183359 [0,1,0,0,0,1|2,0,0]=4 1192 B9R0.1 C=C(F)CSCC(=O)NC 62a_100000183359_100000042424 [0,1,0,0,0,1|2,0,0]=4 1193 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000042424_100000747449 [0,1,0,0,0,1|1,0,1]=4 1194 B9R0.1 C=C(F)CSCC(=O)OC 62a_100000747449_100000042424 [0,1,0,0,0,1|1,0,1]=4 1195 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [0,1,0,0,0,1|2,0,0]=4 1196 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,1,0,0,0,1|1,0,0]=3 1197 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,1,0,0,0,1|1,0,1]=4 1198 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,1,0,0,0,1|1,0,0]=3 1199 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,1,0,0,0,1|1,0,1]=4 1200 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,1,0,0,0,1|1,0,0]=3 1201 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,1,0,0,0,1|1,0,1]=4 1202 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,1,0,0,0,1|1,0,1]=4 1203 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,1,0,0,0,1|1,0,0]=3 1204 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,1,0,0,0,1|1,0,0]=3 1205 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,1,0,0,0,1|1,0,0]=3 1206 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,1,0,0,0,1|1,0,1]=4 1207 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [0,1,0,0,0,1|1,0,0]=3 1208 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [0,1,0,0,0,1|1,0,1]=4 1209 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [0,1,0,0,0,1|0,0,0]=2 1210 B9R0.1 CC(=O)CCCN(C)N=O 1458a_200000076914_200000210301 [0,1,0,0,0,1|2,0,0]=4 1211 B9R0.1 CC(=O)CCOC(C)CO 34a_100000759926_100012180447 [0,1,0,0,0,1|1,0,1]=4 1212 B9R0.1 CC(=O)CCOC(C)CO 7a_100000759926_100012180447 [0,1,0,0,0,1|1,0,1]=4 1213 B9R0.1 CC(=O)CCSC(C)CO 62a_100012180447_100000053229 [0,1,0,0,0,1|1,0,1]=4 1214 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100000053229_100016084084 [0,1,0,0,0,1|1,0,1]=4 1215 B9R0.1 CC(=O)CCS[C@H](C)CO 62a_100016084084_100000053229 [0,1,0,0,0,1|1,0,1]=4 1216 B9R0.1 CC(=O)COCC(O)CO 34a_100000211253_100011219619 [0,1,0,0,0,1|0,0,2]=4 1217 B9R0.1 CC(=O)COC[C@@H](C)CO 34a_100000211253_100000059175 [0,1,0,0,0,1|1,0,1]=4 1218 B9R0.1 CC(=O)COC[C@@H](O)CF 34a_100000211253_100015614560 [0,1,0,0,0,1|1,0,1]=4 1219 B9R0.1 CC(=O)COC[C@@H](O)CO 34a_100000211253_100009815848 [0,1,0,0,0,1|0,0,2]=4 1220 B9R0.1 CC(=O)NCCC(=O)CF 1458a_100000183196_100015361967 [0,1,0,0,0,1|1,0,0]=3 1221 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [0,1,0,0,0,1|0,0,0]=2 1222 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [0,1,0,0,0,1|1,0,1]=4 1223 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [0,1,0,0,0,1|1,0,1]=4 1224 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [0,1,0,0,0,1|0,0,0]=2 1225 B9R0.1 CC(=O)SCCC(=O)CF 1458a_100000048949_100015361967 [0,1,0,0,0,1|1,0,0]=3 1226 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [0,1,0,0,0,1|1,0,1]=4 1227 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [0,1,0,0,0,1|1,0,1]=4 1228 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [0,1,0,0,0,1|1,0,1]=4 1229 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [0,1,0,0,0,1|1,0,1]=4 1230 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [0,1,0,0,0,1|1,0,1]=4 1231 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [0,1,0,0,0,1|0,0,2]=4 1232 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [0,1,0,0,0,1|0,0,2]=4 1233 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [0,1,0,0,0,1|0,0,2]=4 1234 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [0,1,0,0,0,1|2,0,0]=4 1235 B9R0.1 CCC(=O)CCC=C(F)F 1458a_100000210414_200009816681 [0,1,0,0,0,1|2,0,0]=4 1236 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [0,1,0,0,0,1|1,0,0]=3 1237 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [0,1,0,0,0,1|1,0,0]=3 1238 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [0,1,0,0,0,1|1,0,1]=4 1239 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [0,1,0,0,0,1|1,0,1]=4 1240 B9R0.1 CCC(=O)CCN=C(N)N 1458a_100000033030_100000210202 [0,1,0,0,0,1|2,0,0]=4 1241 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [0,1,0,0,0,1|1,0,0]=3 1242 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [0,1,0,0,0,1|1,0,0]=3 1243 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000181464_100000210202 [0,1,0,0,0,1|1,0,0]=3 1244 B9R0.1 CCC(=O)CCNC(=O)N 1458a_100000210414_200000034859 [0,1,0,0,0,1|1,0,0]=3 1245 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [0,1,0,0,0,1|1,0,0]=3 1246 B9R0.1 CCC(=O)CCOC(=O)N 1458a_100000210414_200011214921 [0,1,0,0,0,1|1,0,0]=3 1247 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [0,1,0,0,0,1|1,0,0]=3 1248 B9R0.1 CCC(=O)CNCC(=O)O 269956a_100016091260_100000747405 [0,1,0,0,0,1|0,0,0]=2 1249 B9R0.1 CCC(=O)COCC(=O)N 1458a_100011219004_100000210202 [0,1,0,0,0,1|1,0,0]=3 1250 B9R0.1 CCC(=O)COCC(=O)N 34a_100000725409_100000187820 [0,1,0,0,0,1|1,0,0]=3 1251 B9R0.1 CCC(=O)COCC(=O)[O-] 34a_100000725409_100020667443 [0,1,0,0,0,1|0,0,1]=3 1252 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [0,1,0,0,0,1|1,0,1]=4 1253 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [0,1,0,0,0,1|1,0,1]=4 1254 B9R0.1 CCC(=O)COC[N+](=O)[O-] 34a_100000725409_100000761209 [0,1,0,0,0,1|1,0,1]=4 1255 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747405_100000747473 [0,1,0,0,0,1|1,0,0]=3 1256 B9R0.1 CCC(=O)CSCC(=O)N 62a_100000747473_100000747405 [0,1,0,0,0,1|1,0,0]=3 1257 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100000747405_100020667443 [0,1,0,0,0,1|0,0,1]=3 1258 B9R0.1 CCC(=O)CSCC(=O)[O-] 62a_100020667443_100000747405 [0,1,0,0,0,1|0,0,1]=3 1259 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [0,1,0,0,0,1|1,0,1]=4 1260 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [0,1,0,0,0,1|1,0,1]=4 1261 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [0,1,0,0,0,1|1,0,1]=4 1262 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [0,1,0,0,0,1|1,0,1]=4 1263 B9R0.1 CCC(=O)CSC[N+](=O)[O-] 62a_100000747405_100000761209 [0,1,0,0,0,1|1,0,1]=4 1264 B9R0.1 CCC(=O)NCCC(=O)N 11a_100000740010_100000210414 [0,1,0,0,0,1|1,0,0]=3 1265 B9R0.1 CCC(=O)NCCC(=O)N 240690a_100000740010_100000210414 [0,1,0,0,0,1|1,0,0]=3 1266 B9R0.1 CCC(=O)NCCC(=O)N 527a_100000740010_100000210414 [0,1,0,0,0,1|1,0,0]=3 1267 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [0,1,0,0,0,1|1,0,1]=4 1268 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [0,1,0,0,0,1|1,0,1]=4 1269 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,1,0,0,0,1|1,0,1]=4 1270 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,1,0,0,0,1|0,0,2]=4 1271 B9R0.1 CCC(O)COCC(=O)C 34a_100000211253_100011218378 [0,1,0,0,0,1|1,0,1]=4 1272 B9R0.1 CCN(C)CCCC(=O)O 269956a_100000719178_100000210202 [0,1,0,0,0,1|2,0,0]=4 1273 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,1,0,0,0,1|1,0,1]=4 1274 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [0,1,0,0,0,1|2,0,0]=4 1275 B9R0.1 CN(C)CCNC(=O)CO 240690a_100000210585_100000210174 [0,1,0,0,0,1|2,0,0]=4 1276 B9R0.1 CN(C)CCNC(=O)CO 527a_100000210585_100000210174 [0,1,0,0,0,1|2,0,0]=4 1277 B9R0.1 CN(CCCC(=O)[13CH3])N=O 1458a_200000076914_200025704644 [0,1,0,0,0,1|2,0,0]=4 1278 B9R0.1 CN(CF)CCCC(=O)O 269956a_100000719178_100015361967 [0,1,0,0,0,1|2,0,0]=4 1279 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [0,1,0,0,0,1|1,0,0]=3 1280 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [0,1,0,0,0,1|1,0,1]=4 1281 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [0,1,0,0,0,1|1,0,1]=4 1282 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 11a_106832991635_100016109205 [0,1,0,0,0,1|1,0,1]=4 1283 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 1626a_100102657272_100016109205 [0,1,0,0,0,1|1,0,1]=4 1284 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 240690a_100102657272_100016109205 [0,1,0,0,0,1|1,0,1]=4 1285 B9R0.1 CNC(=O)CCC[N+](=O)[O-] 527a_100102657272_100016109205 [0,1,0,0,0,1|1,0,1]=4 1286 B9R0.1 CNC(=O)CCN=C(N)N 240690a_100102657272_100000033030 [0,1,0,0,0,1|2,0,0]=4 1287 B9R0.1 CNC(=O)CCNC(=O)C 11a_100000738227_100015343762 [0,1,0,0,0,1|1,0,0]=3 1288 B9R0.1 CNC(=O)CCNC(=O)C 11a_106832991635_100000183196 [0,1,0,0,0,1|1,0,0]=3 1289 B9R0.1 CNC(=O)CCNC(=O)C 1626a_100102657272_100000183196 [0,1,0,0,0,1|1,0,0]=3 1290 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100000738227_100015343762 [0,1,0,0,0,1|1,0,0]=3 1291 B9R0.1 CNC(=O)CCNC(=O)C 240690a_100102657272_100000183196 [0,1,0,0,0,1|1,0,0]=3 1292 B9R0.1 CNC(=O)CCNC(=O)C 527a_100000738227_100103153847 [0,1,0,0,0,1|1,0,0]=3 1293 B9R0.1 CNC(=O)CCNC(=O)C 527a_100102657272_100000183196 [0,1,0,0,0,1|1,0,0]=3 1294 B9R0.1 CNC(=O)CCNC(=O)N 240690a_100102657272_100000181464 [0,1,0,0,0,1|1,0,0]=3 1295 B9R0.1 CNC(=O)CCNC(=O)N 527a_100102657272_100000181464 [0,1,0,0,0,1|1,0,0]=3 1296 B9R0.1 CNC(=O)CCSC(=O)C 1626a_100102657272_100000048949 [0,1,0,0,0,1|1,0,0]=3 1297 B9R0.1 CNC(=O)CCSC(=O)C 240690a_100102657272_100000048949 [0,1,0,0,0,1|1,0,0]=3 1298 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000693194_100000747473 [0,1,0,0,0,1|1,0,0]=3 1299 B9R0.1 CNC(=O)CNCC(=O)N 2230a_100000711301_100000183359 [0,1,0,0,0,1|1,0,0]=3 1300 B9R0.1 CNC(=O)CNCC(=O)O 269956a_100016091260_100000183359 [0,1,0,0,0,1|0,0,0]=2 1301 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [0,1,0,0,0,1|1,0,1]=4 1302 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [0,1,0,0,0,1|1,0,1]=4 1303 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [0,1,0,0,0,1|1,0,1]=4 1304 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [0,1,0,0,0,1|1,0,1]=4 1305 B9R0.1 CNC(=O)COCC(=O)C 34a_100000211253_100000183359 [0,1,0,0,0,1|1,0,0]=3 1306 B9R0.1 CNC(=O)COCC(=O)N 1626a_100102657272_100011219004 [0,1,0,0,0,1|1,0,0]=3 1307 B9R0.1 CNC(=O)COCC(=O)N 240690a_100102657272_100011219004 [0,1,0,0,0,1|1,0,0]=3 1308 B9R0.1 CNC(=O)COCC(=O)N 34a_100000750040_100000187820 [0,1,0,0,0,1|1,0,0]=3 1309 B9R0.1 CNC(=O)COCC(=O)N 527a_100102657272_100011219004 [0,1,0,0,0,1|1,0,0]=3 1310 B9R0.1 CNC(=O)COCC(=O)[O-] 34a_100000750040_100020667443 [0,1,0,0,0,1|0,0,1]=3 1311 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [0,1,0,0,0,1|1,0,1]=4 1312 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [0,1,0,0,0,1|1,0,1]=4 1313 B9R0.1 CNC(=O)COC[N+](=O)[O-] 34a_100000750040_100000761209 [0,1,0,0,0,1|1,0,1]=4 1314 B9R0.1 CNC(=O)CSCC(=O)N 11a_106832991635_100000150265 [0,1,0,0,0,1|1,0,0]=3 1315 B9R0.1 CNC(=O)CSCC(=O)N 240690a_100102657272_100000150265 [0,1,0,0,0,1|1,0,0]=3 1316 B9R0.1 CNC(=O)CSCC(=O)N 527a_100102657272_100000150265 [0,1,0,0,0,1|1,0,0]=3 1317 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000183359_100000747473 [0,1,0,0,0,1|1,0,0]=3 1318 B9R0.1 CNC(=O)CSCC(=O)N 62a_100000747473_100000183359 [0,1,0,0,0,1|1,0,0]=3 1319 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100000183359_100020667443 [0,1,0,0,0,1|0,0,1]=3 1320 B9R0.1 CNC(=O)CSCC(=O)[O-] 62a_100020667443_100000183359 [0,1,0,0,0,1|0,0,1]=3 1321 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [0,1,0,0,0,1|1,0,1]=4 1322 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [0,1,0,0,0,1|1,0,1]=4 1323 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [0,1,0,0,0,1|1,0,1]=4 1324 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [0,1,0,0,0,1|1,0,1]=4 1325 B9R0.1 CNC(=O)CSC[N+](=O)[O-] 62a_100000183359_100000761209 [0,1,0,0,0,1|1,0,1]=4 1326 B9R0.1 CNC(=O)NCCC(=O)N 2708a_100102657272_100000740010 [0,1,0,0,0,1|1,0,0]=3 1327 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100000740010_100102657272 [0,1,0,0,0,1|1,0,0]=3 1328 B9R0.1 CNC(=O)NCCC(=O)N 273464a_100102657272_100000740010 [0,1,0,0,0,1|1,0,0]=3 1329 B9R0.1 CNC(=O)NCCC(=O)N 512a_106832991638_100000740010 [0,1,0,0,0,1|1,0,0]=3 1330 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [0,1,0,0,0,1|1,0,1]=4 1331 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [0,1,0,0,0,1|1,0,1]=4 1332 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [0,1,0,0,0,1|1,0,1]=4 1333 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [0,1,0,0,0,1|1,0,1]=4 1334 B9R0.1 CNC(=O)OCCC(=O)C 1458a_100000070787_200011997002 [0,1,0,0,0,1|1,0,0]=3 1335 B9R0.1 COC(=O)C=NNC(=O)C 4a_100000189765_200011823558 [0,1,0,0,0,1|1,0,1]=4 1336 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [0,1,0,0,0,1|0,0,0]=2 1337 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [0,1,0,0,0,1|0,0,0]=2 1338 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [0,1,0,0,0,1|0,0,0]=2 1339 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [0,1,0,0,0,1|2,0,0]=4 1340 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [0,1,0,0,0,1|2,0,0]=4 1341 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [0,1,0,0,0,1|2,0,0]=4 1342 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [0,1,0,0,0,1|2,0,0]=4 1343 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [0,1,0,0,0,1|0,0,0]=2 1344 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [0,1,0,0,0,1|1,0,1]=4 1345 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [0,1,0,0,0,1|1,0,1]=4 1346 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [0,1,0,0,0,1|1,0,1]=4 1347 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [0,1,0,0,0,1|1,0,1]=4 1348 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [0,1,0,0,0,1|1,0,1]=4 1349 B9R0.1 COC(=O)CNCC(=O)N 2230a_100000711301_100000747449 [0,1,0,0,0,1|1,0,0]=3 1350 B9R0.1 COC(=O)CNCC(=O)O 269956a_100016091260_100000747449 [0,1,0,0,0,1|0,0,0]=2 1351 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [0,1,0,0,0,1|1,0,1]=4 1352 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [0,1,0,0,0,1|1,0,1]=4 1353 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [0,1,0,0,0,1|0,0,2]=4 1354 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [0,1,0,0,0,1|0,0,2]=4 1355 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [0,1,0,0,0,1|0,0,0]=2 1356 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [0,1,0,0,0,1|1,0,1]=4 1357 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [0,1,0,0,0,1|1,0,1]=4 1358 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [0,1,0,0,0,1|1,0,1]=4 1359 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [0,1,0,0,0,1|1,0,1]=4 1360 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [0,1,0,0,0,1|1,0,1]=4 1361 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [0,1,0,0,0,1|0,0,0]=2 1362 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747449_100000747473 [0,1,0,0,0,1|1,0,0]=3 1363 B9R0.1 COC(=O)CSCC(=O)N 62a_100000747473_100000747449 [0,1,0,0,0,1|1,0,0]=3 1364 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [0,1,0,0,0,1|0,0,0]=2 1365 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100000747449_100020667443 [0,1,0,0,0,1|0,0,1]=3 1366 B9R0.1 COC(=O)CSCC(=O)[O-] 62a_100020667443_100000747449 [0,1,0,0,0,1|0,0,1]=3 1367 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [0,1,0,0,0,1|1,0,1]=4 1368 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [0,1,0,0,0,1|1,0,1]=4 1369 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [0,1,0,0,0,1|0,0,2]=4 1370 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [0,1,0,0,0,1|0,0,2]=4 1371 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [0,1,0,0,0,1|0,0,2]=4 1372 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [0,1,0,0,0,1|0,0,2]=4 1373 B9R0.1 COC(=O)CSC[N+](=O)[O-] 62a_100000747449_100000761209 [0,1,0,0,0,1|1,0,1]=4 1374 B9R0.1 COC(C)SCCC(=O)C 62a_100000053229_100009879195 [0,1,0,0,0,1|1,0,1]=4 1375 B9R0.1 COC(C)SCCC(=O)C 62a_100009879195_100000053229 [0,1,0,0,0,1|1,0,1]=4 1376 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,1,0,0,0,1|0,0,2]=4 1377 B9R0.1 NC(=NCCC(=O)CF)N 1458a_100000033030_100015361967 [0,1,0,0,0,1|2,0,0]=4 1378 B9R0.1 NC(=O)CCCC(=O)CO 1458a_100000210174_100102525003 [0,1,0,0,0,1|1,0,0]=3 1379 B9R0.1 NC(=O)CCNC(=O)CO 240690a_100000740010_100000210174 [0,1,0,0,0,1|1,0,0]=3 1380 B9R0.1 NC(=O)CCNC(=O)CO 527a_100000740010_100000210174 [0,1,0,0,0,1|1,0,0]=3 1381 B9R0.1 NC(=O)COCC(=O)CF 1458a_100011219004_100015361967 [0,1,0,0,0,1|1,0,0]=3 1382 B9R0.1 NC(=O)NCCC(=O)CF 1458a_100000181464_100015361967 [0,1,0,0,0,1|1,0,0]=3 1383 B9R0.1 NC(=O)NCCC(=O)CO 1458a_100000210174_200000034859 [0,1,0,0,0,1|1,0,0]=3 1384 B9R0.1 NC(=O)OCCC(=O)CO 1458a_100000210174_200011214921 [0,1,0,0,0,1|1,0,0]=3 1385 B9R0.1 O=C(CF)CCC[N+](=O)[O-] 1458a_100016109205_100015361967 [0,1,0,0,0,1|1,0,1]=4 1386 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [0,1,0,0,0,1|2,0,0]=4 1387 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,1,0,0,0,1|0,0,2]=4 1388 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,1,0,0,0,1|0,0,2]=4 1389 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,1,0,0,0,1|0,0,2]=4 1390 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,1,0,0,0,1|1,0,0]=3 1391 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,1,0,0,0,1|2,0,0]=4 1392 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,1,0,0,0,1|2,0,0]=4 1393 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,1,0,0,0,1|2,0,0]=4 1394 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,1,0,0,0,1|2,0,0]=4 1395 B9R0.7 C=C(C)COC(F)C(=O)N 34a_100000210245_100009813875 [0,1,0,0,0,1|2,0,0]=4 1396 B9R0.7 C=C(C)COC(F)C(=O)[O-] 34a_100000210245_100020610796 [0,1,0,0,0,1|1,0,1]=4 1397 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,1,0,0,0,1|1,0,1]=4 1398 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,1,0,0,0,1|2,0,0]=4 1399 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,1,0,0,0,1|2,0,0]=4 1400 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,1,0,0,0,1|2,0,0]=4 1401 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,1,0,0,0,1|2,0,0]=4 1402 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,1,0,0,0,1|2,0,0]=4 1403 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,1,0,0,0,1|2,0,0]=4 1404 B9R0.7 C=C(C)CSC(F)C(=O)N 62a_100000748629_100009813875 [0,1,0,0,0,1|2,0,0]=4 1405 B9R0.7 C=C(C)CSC(F)C(=O)N 62a_100009813875_100000211660 [0,1,0,0,0,1|2,0,0]=4 1406 B9R0.7 C=C(C)CSC(F)C(=O)[O-] 62a_100000748629_100020610796 [0,1,0,0,0,1|1,0,1]=4 1407 B9R0.7 C=C(C)CSC(F)C(=O)[O-] 62a_100020610796_100000211660 [0,1,0,0,0,1|1,0,1]=4 1408 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,1,0,0,0,1|1,0,1]=4 1409 B9R0.7 C=C(F)COC(C)C(=O)C 34a_100000212229_100009893438 [0,1,0,0,0,1|2,0,0]=4 1410 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100000042424_100009814033 [0,1,0,0,0,1|2,0,0]=4 1411 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100009814033_100000042424 [0,1,0,0,0,1|2,0,0]=4 1412 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,1,0,0,0,1|1,0,0]=3 1413 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,1|0,0,0]=2 1414 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,1|1,0,1]=4 1415 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,1,0,0,0,1|1,0,0]=3 1416 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,1,0,0,0,1|0,0,1]=3 1417 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,1|1,0,1]=4 1418 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,1|1,0,1]=4 1419 B9R0.7 CC(=O)C(C)OC[N+](=O)[O-] 34a_100000212229_100000761209 [0,1,0,0,0,1|1,0,1]=4 1420 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,1,0,0,0,1|1,0,0]=3 1421 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,1,0,0,0,1|1,0,0]=3 1422 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,1,0,0,0,1|0,0,1]=3 1423 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,1,0,0,0,1|0,0,1]=3 1424 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,1|1,0,1]=4 1425 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,1|1,0,1]=4 1426 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,1|1,0,1]=4 1427 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,1|1,0,1]=4 1428 B9R0.7 CC(=O)C(C)SC[N+](=O)[O-] 62a_100009814033_100000761209 [0,1,0,0,0,1|1,0,1]=4 1429 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_100000070787_100009813398 [0,1,0,0,0,1|2,0,0]=4 1430 B9R0.7 CC(=O)CCC(=C(F)F)F 1458a_200000036841_200000210301 [0,1,0,0,0,1|2,0,0]=4 1431 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,1|1,0,0]=3 1432 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,1,0,0,0,1|1,0,0]=3 1433 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,1,0,0,0,1|1,0,0]=3 1434 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,1,0,0,0,1|0,0,1]=3 1435 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,1,0,0,0,1|1,0,0]=3 1436 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,1,0,0,0,1|1,0,0]=3 1437 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,1,0,0,0,1|1,0,0]=3 1438 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,1|1,0,0]=3 1439 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,1,0,0,0,1|1,0,0]=3 1440 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,1,0,0,0,1|1,0,0]=3 1441 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,1,0,0,0,1|1,0,1]=4 1442 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,1,0,0,0,1|1,0,1]=4 1443 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,1,0,0,0,1|1,0,1]=4 1444 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,1,0,0,0,1|2,0,0]=4 1445 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,1,0,0,0,1|0,0,2]=4 1446 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,1,0,0,0,1|2,0,0]=4 1447 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,1,0,0,0,1|2,0,0]=4 1448 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,1,0,0,0,1|1,0,1]=4 1449 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,1,0,0,0,1|1,0,1]=4 1450 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,1,0,0,0,1|2,0,0]=4 1451 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,1,0,0,0,1|2,0,0]=4 1452 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,1,0,0,0,1|1,0,1]=4 1453 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,1,0,0,0,1|2,0,0]=4 1454 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,1,0,0,0,1|2,0,0]=4 1455 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,1,0,0,0,1|1,0,1]=4 1456 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,1,0,0,0,1|1,0,0]=3 1457 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,1,0,0,0,1|1,0,0]=3 1458 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,1,0,0,0,1|0,0,2]=4 1459 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,1,0,0,0,1|2,0,0]=4 1460 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,1,0,0,0,1|1,0,1]=4 1461 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100009813875_100020667443 [0,1,0,0,0,1|1,0,1]=4 1462 B9R0.7 NC(=O)C(F)SCC(=O)[O-] 62a_100020667443_100009813875 [0,1,0,0,0,1|1,0,1]=4 1463 B9R0.7 NC(=O)CNC(F)C(=O)N 2230a_100000711301_100009813875 [0,1,0,0,0,1|2,0,0]=4 1464 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100000747473_100009813875 [0,1,0,0,0,1|2,0,0]=4 1465 B9R0.7 NC(=O)CSC(F)C(=O)N 62a_100009813875_100000747473 [0,1,0,0,0,1|2,0,0]=4 1466 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100000747473_100020610796 [0,1,0,0,0,1|1,0,1]=4 1467 B9R0.7 NC(=O)CSC(F)C(=O)[O-] 62a_100020610796_100000747473 [0,1,0,0,0,1|1,0,1]=4 1468 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020610796_100020667443 [0,1,0,0,0,1|1,0,1]=4 1469 B9R0.7 O=C([O-])CSC(F)C(=O)[O-] 62a_100020667443_100020610796 [0,1,0,0,0,1|1,0,1]=4 1470 B9R0.7 [13CH3]C(=O)CCC(=C(F)F)F 1458a_200000036841_200025704644 [0,1,0,0,0,1|2,0,0]=4 1471 B9R0.53 C=C(C)CC(=O)CC(=O)N 1458a_100134613110_100000748629 [0,1,0,0,0,1|2,0,0]=4 1472 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000225649_100000747473 [0,1,0,0,0,1|2,0,0]=4 1473 B9R0.53 C=C(C)CN(C)CC(=O)N 2230a_100000739694_100000748629 [0,1,0,0,0,1|2,0,0]=4 1474 B9R0.53 C=C(C)CN(C)CC(=O)N 269982a_100000225649_100000187820 [0,1,0,0,0,1|2,0,0]=4 1475 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,1,0,0,0,1|1,0,0]=3 1476 B9R0.53 C=C(C)CN(C)CC(=O)[O-] 269982a_100000225649_100020667443 [0,1,0,0,0,1|1,0,1]=4 1477 B9R0.53 C=C(F)CN(C)CC(=O)O 269956a_100000746989_100000042424 [0,1,0,0,0,1|1,0,1]=4 1478 B9R0.53 CC(=O)CC(=O)NC(=O)C 1458a_100000070787_100000183797 [0,1,0,0,0,1|1,0,1]=4 1479 B9R0.53 CC(=O)CC(=O)NC(=O)N 1458a_100000070787_100000182717 [0,1,0,0,0,1|1,0,1]=4 1480 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,1,0,0,0,1|1,0,1]=4 1481 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [0,1,0,0,0,1|0,0,2]=4 1482 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000232323_200000210301 [0,1,0,0,0,1|2,0,0]=4 1483 B9R0.53 CN(CC(=O)N)CC(=O)N 2230a_100000739694_100000747473 [0,1,0,0,0,1|2,0,0]=4 1484 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,1,0,0,0,1|1,0,0]=3 1485 B9R0.53 CN(CC(=O)O)C[N+](=O)[O-] 269956a_100000746989_100000761209 [0,1,0,0,0,1|2,0,0]=4 1486 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,1,0,0,0,1|1,0,0]=3 1487 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [0,1,0,0,0,1|0,0,2]=4 1488 B9R0.53 NC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000187820 [0,1,0,0,0,1|2,0,0]=4 1489 B9R0.53 NC(=O)CC(=O)CC(=O)[O-] 1458a_100134613110_100020667443 [0,1,0,0,0,1|1,0,1]=4 1490 B9R0.53 [13CH3]N(CC(=O)N)CC(=O)N 2230a_100000232323_200025704644 [0,1,0,0,0,1|2,0,0]=4 1491 B9R0.56 CC(=O)CCCS(=O)(=O)C 1458a_100000070787_100000754308 [0,1,0,0,0,1|1,0,1]=4 1492 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000070787_100000750626 [0,1,0,0,0,1|1,0,1]=4 1493 B9R0.56 CC(=O)CCCS(=O)(=O)N 1458a_100000739357_200000210301 [0,1,0,0,0,1|1,0,1]=4 1494 B9R0.56 CC(=O)CCCS(=O)(=O)[O-] 1458a_100000070787_100009813499 [0,1,0,0,0,1|1,0,1]=4 1495 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000070787_100000754112 [0,1,0,0,0,1|1,0,1]=4 1496 B9R0.56 CC(=O)CCNS(=O)(=O)C 1458a_100000165793_200000210301 [0,1,0,0,0,1|1,0,1]=4 1497 B9R0.56 CC(=O)CCOS(=O)(=O)C 1458a_100000070787_200000036756 [0,1,0,0,0,1|1,0,1]=4 1498 B9R0.56 CC(=O)COCC(C)(C)O 34a_100000211253_100000764493 [0,1,0,0,0,1|1,0,1]=4 1499 B9R0.56 CC(=O)COCS(=O)(=O)[O-] 34a_100000211253_100009817235 [0,1,0,0,0,1|1,0,1]=4 1500 B9R0.56 CC(=O)NCCC(C)(C)O 1626a_100000707701_100015343762 [0,1,0,0,0,1|1,0,1]=4 1501 B9R0.56 CC(=O)NCCC(C)(C)O 527a_100000707701_100103153847 [0,1,0,0,0,1|1,0,1]=4 1502 B9R0.56 CC(=O)NCCS(=O)(=O)C 11a_100000740961_100015343762 [0,1,0,0,0,1|1,0,1]=4 1503 B9R0.56 CC(=O)NCCS(=O)(=O)C 1626a_100000740961_100015343762 [0,1,0,0,0,1|1,0,1]=4 1504 B9R0.56 CC(=O)NCCS(=O)(=O)C 240690a_100000740961_100015343762 [0,1,0,0,0,1|1,0,1]=4 1505 B9R0.56 CC(=O)NCCS(=O)(=O)C 527a_100000740961_100103153847 [0,1,0,0,0,1|1,0,1]=4 1506 B9R0.56 CC(=O)NCCS(=O)(=O)N 240690a_100000738205_100015343762 [0,1,0,0,0,1|1,0,1]=4 1507 B9R0.56 CC(=O)NCCS(=O)(=O)N 527a_100000738205_100103153847 [0,1,0,0,0,1|1,0,1]=4 1508 B9R0.56 CC(C)(C)CNCC(=O)O 269956a_100016091260_100011219605 [0,1,0,0,0,1|1,0,1]=4 1509 B9R0.56 CC(C)(F)CNCC(=O)O 269956a_100016091260_100011997219 [0,1,0,0,0,1|1,0,1]=4 1510 B9R0.56 CC(C)(O)CNCC(=O)O 269956a_100016091260_100000764493 [0,1,0,0,0,1|0,0,2]=4 1511 B9R0.56 CS(=O)(=O)NCCC(=O)N 40a_100000740010_100000738038 [0,1,0,0,0,1|2,0,0]=4 1512 B9R0.56 CS(=O)(=O)NCCC(=O)[13CH3] 1458a_100000165793_200025704644 [0,1,0,0,0,1|1,0,1]=4 1513 B9R0.56 C[N+](C)(C)CNCC(=O)O 269956a_100016091260_200000036245 [0,1,0,0,0,1|2,0,0]=4 1514 B9R0.56 C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000037933 [0,1,0,0,0,1|1,1,0]=4 1515 B9R0.56 NS(=O)(=O)CNCC(=O)O 269956a_100016091260_100000741382 [0,1,0,0,0,1|2,0,0]=4 1516 B9R0.56 O=C(O)CNCS(=O)(=O)[O-] 269956a_100016091260_100009817235 [0,1,0,0,0,1|2,0,0]=4 1517 B9R0.56 [13CH3]C(=O)CCCS(=O)(=O)N 1458a_100000739357_200025704644 [0,1,0,0,0,1|1,0,1]=4 1518 B9R0.21 C#CC(=O)CCS(=O)(=O)C 1458a_100000211873_100000731031 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.21 C=CC(=O)CCS(=O)(=O)C 1458a_100000185746_100000731031 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.21 CC(C)(C)CCC(=O)CO 1458a_100000210174_100000755188 [0,2,0,0,0,0|1,0,1]=4 1521 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000210414_100000731031 [0,2,0,0,0,0|1,0,1]=4 1522 B9R0.21 CCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210202 [0,2,0,0,0,0|1,0,1]=4 1523 B9R0.21 CCC(=O)CCS(=O)(=O)N 1458a_100000737202_100000210202 [0,2,0,0,0,0|1,0,1]=4 1524 B9R0.21 CCC(=O)CCS(=O)(=O)[O-] 1458a_100000210414_100000762736 [0,2,0,0,0,0|1,0,1]=4 1525 B9R0.21 CNC(=O)CCS(=O)(=O)C 11a_106832991635_100000737124 [0,2,0,0,0,0|1,0,1]=4 1526 B9R0.21 CNC(=O)CCS(=O)(=O)C 1626a_100102657272_100000737124 [0,2,0,0,0,0|1,0,1]=4 1527 B9R0.21 CNC(=O)CCS(=O)(=O)C 240690a_100102657272_100000737124 [0,2,0,0,0,0|1,0,1]=4 1528 B9R0.21 CNC(=O)CCS(=O)(=O)C 527a_100102657272_100000737124 [0,2,0,0,0,0|1,0,1]=4 1529 B9R0.21 CNC(=O)CCS(=O)(=O)N 240690a_100102657272_100000737202 [0,2,0,0,0,0|1,0,1]=4 1530 B9R0.21 CS(=O)(=O)CCC(=O)CF 1458a_100000737124_100015361967 [0,2,0,0,0,0|1,0,1]=4 1531 B9R0.21 CS(=O)(=O)CCC(=O)CO 1458a_100000210174_100000731031 [0,2,0,0,0,0|1,0,0]=3 1532 B9R0.21 C[N+](C)(C)CCC(=O)CO 1458a_100000210174_100000085578 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.21 C[Si](C)(C)CCC(=O)CO 1458a_100000210174_200000733723 [0,2,0,0,0,0|1,1,0]=4 1534 B9R0.21 NS(=O)(=O)CCC(=O)CF 1458a_100000737202_100015361967 [0,2,0,0,0,0|1,0,1]=4 1535 B9R0.21 O=C(CO)CCS(=O)(=O)[O-] 1458a_100000210174_100000762736 [0,2,0,0,0,0|1,0,1]=4 1536 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.23 C=C(C)CN(C)C(=O)CO 527a_100000225649_100000210174 [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,2,0,0,0,0|2,0,0]=4 1539 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,2,0,0,0,0|2,0,0]=4 1540 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,2,0,0,0,0|1,0,0]=3 1541 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,2,0,0,0,0|2,0,0]=4 1542 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,2,0,0,0,0|1,0,1]=4 1543 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,2,0,0,0,0|2,0,0]=4 1545 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.23 CNC(=O)C(=O)CC(=O)N 1458a_100011218921_100000187820 [0,2,0,0,0,0|1,0,1]=4 1550 B9R0.23 CNC(=O)C(=O)CC(=O)[O-] 1458a_100011218921_100020667443 [0,2,0,0,0,0|0,0,2]=4 1551 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,2,0,0,0,0|2,0,0]=4 1554 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,2,0,0,0,0|2,0,0]=4 1555 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,2,0,0,0,0|2,0,0]=4 1556 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,2,0,0,0,0|2,0,0]=4 1558 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,2,0,0,0,0|2,0,0]=4 1561 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,2,0,0,0,0|2,0,0]=4 1564 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,2,0,0,0,0|2,0,0]=4 1565 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,2,0,0,0,0|1,0,0]=3 1566 B9R0.24 C=CC(=O)NCC(=O)CC 1458a_200011222540_100000210202 [0,2,0,0,0,0|2,0,0]=4 1567 B9R0.24 C=CC(=O)NCC(=O)CF 1458a_200011222540_100015361967 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.24 C=CC(=O)NCC(=O)NC 11a_106832991635_200011222540 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100000693194_200121576911 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.24 C=CC(=O)NCC(=O)NC 240690a_100102657272_200011222540 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.24 C=CC(=O)NCC(=O)NC 527a_100102657272_200011222540 [0,2,0,0,0,0|2,0,0]=4 1572 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [0,2,0,0,0,0|1,0,0]=3 1573 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [0,2,0,0,0,0|0,0,0]=2 1574 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [0,2,0,0,0,0|2,0,0]=4 1575 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [0,2,0,0,0,0|1,0,0]=3 1577 B9R0.24 CCC(=O)NCC(=O)CF 1458a_100000194589_100015361967 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.24 CCC(=O)NCC(=O)NC 11a_100000693194_100000210414 [0,2,0,0,0,0|2,0,0]=4 1579 B9R0.24 CCC(=O)NCC(=O)NC 11a_106832991635_100000194589 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.24 CCC(=O)NCC(=O)NC 1626a_100102657272_100000194589 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100000693194_100000210414 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.24 CCC(=O)NCC(=O)NC 240690a_100102657272_100000194589 [0,2,0,0,0,0|2,0,0]=4 1583 B9R0.24 CCC(=O)NCC(=O)NC 527a_100000693194_100000210414 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.24 CCC(=O)NCC(=O)NC 527a_100102657272_100000194589 [0,2,0,0,0,0|2,0,0]=4 1585 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [0,2,0,0,0,0|1,0,0]=3 1586 B9R0.24 CCC(=O)NNC(=O)CO 22a_100000183195_100000210174 [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [0,2,0,0,0,0|1,0,1]=4 1588 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [0,2,0,0,0,0|1,0,1]=4 1589 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [0,2,0,0,0,0|2,0,0]=4 1593 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [0,2,0,0,0,0|2,0,0]=4 1594 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [0,2,0,0,0,0|2,0,0]=4 1595 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [0,2,0,0,0,0|2,0,0]=4 1596 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [0,2,0,0,0,0|2,0,0]=4 1597 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [0,2,0,0,0,0|2,0,0]=4 1600 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [0,2,0,0,0,0|2,0,0]=4 1601 B9R0.24 CNC(=O)C=CC(=O)OC 1626a_100102657272_100016283253 [0,2,0,0,0,0|0,0,2]=4 1602 B9R0.24 CNC(=O)CCC(=O)CF 1458a_100011309844_100015361967 [0,2,0,0,0,0|1,0,0]=3 1603 B9R0.24 CNC(=O)CCC(=O)NC 11a_106832991635_100011309844 [0,2,0,0,0,0|1,0,0]=3 1604 B9R0.24 CNC(=O)CCC(=O)NC 1626a_100102657272_100011309844 [0,2,0,0,0,0|1,0,0]=3 1605 B9R0.24 CNC(=O)CCC(=O)NC 240690a_100102657272_100011309844 [0,2,0,0,0,0|1,0,0]=3 1606 B9R0.24 CNC(=O)CCC(=O)NC 527a_100102657272_100011309844 [0,2,0,0,0,0|1,0,0]=3 1607 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [0,2,0,0,0,0|0,0,0]=2 1608 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [0,2,0,0,0,0|0,0,0]=2 1609 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [0,2,0,0,0,0|0,0,0]=2 1610 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [0,2,0,0,0,0|0,0,0]=2 1611 B9R0.24 CNC(=O)CNC(=O)CO 240690a_100000693194_100000210174 [0,2,0,0,0,0|1,0,0]=3 1612 B9R0.24 CNC(=O)CNC(=O)CO 527a_100000693194_100000210174 [0,2,0,0,0,0|1,0,0]=3 1613 B9R0.24 CNC(=O)CNC(=O)NC 2708a_100102657272_100000693194 [0,2,0,0,0,0|2,0,0]=4 1614 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100000693194_100102657272 [0,2,0,0,0,0|2,0,0]=4 1615 B9R0.24 CNC(=O)CNC(=O)NC 273464a_100102657272_100000693194 [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.24 CNC(=O)CNC(=O)NC 512a_106832991638_100000693194 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.24 CNC(=O)CNC(=O)OC 11a_106832991635_100000215747 [0,2,0,0,0,0|1,0,0]=3 1618 B9R0.24 CNC(=O)CNC(=O)OC 1626a_100102657272_100000215747 [0,2,0,0,0,0|1,0,0]=3 1619 B9R0.24 CNC(=O)CNC(=O)OC 240690a_100102657272_100000215747 [0,2,0,0,0,0|1,0,0]=3 1620 B9R0.24 CNC(=O)CNC(=O)OC 527a_100102657272_100000215747 [0,2,0,0,0,0|1,0,0]=3 1621 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [0,2,0,0,0,0|0,0,0]=2 1622 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.24 COC(=O)CNC(=O)CO 188690a_100000185156_100000210174 [0,2,0,0,0,0|1,0,0]=3 1624 B9R0.24 COC(=O)NCC(=O)CF 1458a_100000215747_100015361967 [0,2,0,0,0,0|1,0,0]=3 1625 B9R0.42 C#CC(=O)CC(=O)C(=O)C 1458a_100000211873_100011261029 [0,2,0,0,0,0|1,0,1]=4 1626 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,2,0,0,0,0|1,0,1]=4 1627 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,2,0,0,0,0|1,0,1]=4 1628 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,2,0,0,0,0|0,0,1]=3 1629 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [0,2,0,0,0,0|2,0,0]=4 1630 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,2,0,0,0,0|1,0,1]=4 1631 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.42 CN(CC(=O)CF)C(=O)N 1458a_100000218718_100015361967 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,2,0,0,0,0|2,0,0]=4 1641 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,2,0,0,0,0|2,0,0]=4 1643 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,2,0,0,0,0|2,0,0]=4 1648 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,2,0,0,0,0|2,0,0]=4 1649 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,2,0,0,0,0|2,0,0]=4 1650 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,2,0,0,0,0|0,0,0]=2 1652 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,2,0,0,0,0|0,0,0]=2 1653 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,2,0,0,0,0|2,0,0]=4 1655 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,2,0,0,0,0|1,0,0]=3 1656 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,2,0,0,0,0|1,0,0]=3 1657 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,2,0,0,0,0|1,0,0]=3 1658 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,2,0,0,0,0|1,0,0]=3 1659 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,2,0,0,0,0|2,0,0]=4 1660 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.43 COC(CCC(=O)C)OC 1458a_100000070787_100000139399 [0,2,0,0,0,0|0,0,2]=4 1662 B9R0.43 COC(CCC(=O)C)OC 1458a_200000082759_200000210301 [0,2,0,0,0,0|0,0,2]=4 1663 B9R0.43 COC(CCC(=O)[13CH3])OC 1458a_200000082759_200025704644 [0,2,0,0,0,0|0,0,2]=4 1664 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_100011220946_100000730704 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.48 C#CCC(=O)CCC(=C)C 1458a_200000688413_100000184674 [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.48 C#CCC(=O)CCC(=O)N 1458a_100011215257_100000184674 [0,2,0,0,0,0|1,0,0]=3 1667 B9R0.48 C#CCC(=O)CCC(C)O 1458a_100011220946_100012276601 [0,2,0,0,0,0|1,0,1]=4 1668 B9R0.48 C#CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000184674 [0,2,0,0,0,0|1,0,1]=4 1669 B9R0.48 C#CCC(=O)CNC(=O)C 1458a_100000194580_100000184674 [0,2,0,0,0,0|2,0,0]=4 1670 B9R0.48 C#CCC(=O)CNC(=O)N 1458a_100000184981_100000184674 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.48 C#CCC(=O)COC(=O)C 1458a_100000183556_100000184674 [0,2,0,0,0,0|2,0,0]=4 1672 B9R0.48 C#CCC(=O)CSC(=O)C 1458a_100000049016_100000184674 [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.48 C#CCC(=O)NCC(=O)N 527a_100000711301_100011220946 [0,2,0,0,0,0|2,0,0]=4 1674 B9R0.48 C=C(C)CCC(=O)C#CC 1458a_100000763181_100000730704 [0,2,0,0,0,0|2,0,0]=4 1675 B9R0.48 C=C(C)CCC(=O)C=CBr 1458a_100016273825_100000730704 [0,2,0,0,0,0|2,0,0]=4 1676 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.48 C=C(C)CCC(=O)C=CCl 1458a_200016279998_100000730704 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.48 C=C(C)CCC(=O)C=CI 1458a_100016256311_100000730704 [0,2,0,0,0,0|2,0,0]=4 1679 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_100051588842_100000730704 [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.48 C=C(C)CCC(=O)CC#N 1458a_200000688413_100011214920 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [0,2,0,0,0,0|2,0,0]=4 1683 B9R0.48 C=C(C)CCC(=O)CCF 1458a_200000688413_100011217306 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,2,0,0,0,0|1,0,0]=3 1685 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,2,0,0,0,0|1,0,0]=3 1686 B9R0.48 C=C(C)CCC(=O)COC 1458a_100000210968_100000730704 [0,2,0,0,0,0|1,0,0]=3 1687 B9R0.48 C=C(C)CCC(=O)CSC 1458a_100000184570_100000730704 [0,2,0,0,0,0|1,1,0]=4 1688 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 1689 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 1690 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [0,2,0,0,0,0|2,0,0]=4 1691 B9R0.48 C=C(C)CCC(=O)NNC 22a_100016993582_200000688413 [0,2,0,0,0,0|2,0,0]=4 1692 B9R0.48 C=C(C)CNC(=O)CCO 240690a_100000765925_100011216618 [0,2,0,0,0,0|2,0,0]=4 1693 B9R0.48 C=C(C)CNC(=O)COC 11a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 1694 B9R0.48 C=C(C)CNC(=O)COC 1626a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 1695 B9R0.48 C=C(C)CNC(=O)COC 240690a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 1696 B9R0.48 C=C(C)CNC(=O)COC 527a_100000765925_100000210968 [0,2,0,0,0,0|2,0,0]=4 1697 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_100000210193_100000730704 [0,2,0,0,0,0|2,0,0]=4 1698 B9R0.48 C=CCC(=O)CCC(=C)C 1458a_200000688413_100000210623 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,2,0,0,0,0|1,0,0]=3 1700 B9R0.48 C=CCC(=O)CCC(C)O 1458a_100000210193_100012276601 [0,2,0,0,0,0|1,0,1]=4 1701 B9R0.48 C=CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210623 [0,2,0,0,0,0|1,0,1]=4 1702 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.48 C=CCC(=O)CNC(=O)N 1458a_100000184981_100000210623 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.48 C=CCC(=O)NCC(=O)N 11a_100000711301_100000210193 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.48 C=CCC(=O)NCC(=O)N 240690a_100000711301_100000210193 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.48 C=CCC(=O)NCC(=O)N 527a_100000711301_100000210193 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [0,2,0,0,0,0|1,0,1]=4 1710 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,2,0,0,0,0|1,0,1]=4 1711 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,2,0,0,0,0|1,0,1]=4 1712 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,2,0,0,0,0|2,0,0]=4 1713 B9R0.48 CC(=O)NCC(=O)CC#N 1458a_100000194580_100011214920 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.48 CC(=O)NCC(=O)CCF 1458a_100000194580_100011217306 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.48 CC(=O)NCC(=O)CCO 1458a_100000194580_100000211926 [0,2,0,0,0,0|1,0,0]=3 1716 B9R0.48 CC(=O)NNC(=O)CCO 22a_100000189765_100011216618 [0,2,0,0,0,0|2,0,0]=4 1717 B9R0.48 CC(=O)OCC(=O)CC#N 1458a_100000183556_100011214920 [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.48 CC(=O)OCC(=O)CCF 1458a_100000183556_100011217306 [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.48 CC(=O)OCC(=O)CCO 1458a_100000183556_100000211926 [0,2,0,0,0,0|1,0,0]=3 1720 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [0,2,0,0,0,0|1,1,0]=4 1721 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [0,2,0,0,0,0|1,1,0]=4 1722 B9R0.48 CC(=O)SCC(=O)CC#N 1458a_100000049016_100011214920 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.48 CC(=O)SCC(=O)CCF 1458a_100000049016_100011217306 [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.48 CC(=O)SCC(=O)CCO 1458a_100000049016_100000211926 [0,2,0,0,0,0|1,0,0]=3 1725 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,2,0,0,0,0|1,0,1]=4 1726 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,2,0,0,0,0|1,0,1]=4 1727 B9R0.48 CC(O)CCC(=O)CC#N 1458a_100051588842_100012276601 [0,2,0,0,0,0|1,0,1]=4 1728 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [0,2,0,0,0,0|0,0,2]=4 1729 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [0,2,0,0,0,0|1,0,1]=4 1730 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [0,2,0,0,0,0|2,0,0]=4 1731 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [0,2,0,0,0,0|2,0,0]=4 1732 B9R0.48 CCCC(=O)CCC(=O)N 1458a_100011215257_100000210303 [0,2,0,0,0,0|1,0,0]=3 1733 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [0,2,0,0,0,0|1,0,1]=4 1734 B9R0.48 CCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210303 [0,2,0,0,0,0|1,0,1]=4 1735 B9R0.48 CCCC(=O)CNC(=O)C 1458a_100000194580_100000210303 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.48 CCCC(=O)CNC(=O)N 1458a_100000184981_100000210303 [0,2,0,0,0,0|2,0,0]=4 1737 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [0,2,0,0,0,0|2,0,0]=4 1738 B9R0.48 CCCC(=O)CSC(=O)C 1458a_100000049016_100000210303 [0,2,0,0,0,0|2,0,0]=4 1739 B9R0.48 CCCC(=O)NCC(=O)N 11a_100000711301_100000211992 [0,2,0,0,0,0|2,0,0]=4 1740 B9R0.48 CCCC(=O)NCC(=O)N 240690a_100000711301_100000211992 [0,2,0,0,0,0|2,0,0]=4 1741 B9R0.48 CCCC(=O)NCC(=O)N 527a_100000711301_100000211992 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.48 CCCC(=O)OCC(=O)C 1458a_100000070787_100000034017 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [0,2,0,0,0,0|1,0,0]=3 1744 B9R0.48 CCNC(=O)CCC(=O)N 240690a_100015525214_100011215257 [0,2,0,0,0,0|1,0,0]=3 1745 B9R0.48 CCNC(=O)CCC(=O)N 527a_100015525214_100011215257 [0,2,0,0,0,0|1,0,0]=3 1746 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [0,2,0,0,0,0|1,0,0]=3 1747 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 11a_100015525214_200000064761 [0,2,0,0,0,0|1,0,1]=4 1748 B9R0.48 CCNC(=O)CC[N+](=O)[O-] 240690a_100015525214_200000064761 [0,2,0,0,0,0|1,0,1]=4 1749 B9R0.48 CCNC(=O)CNC(=O)C 11a_100015525214_100000194580 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.48 CCNC(=O)CNC(=O)C 11a_100016988866_100015343762 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.48 CCNC(=O)CNC(=O)C 1626a_100016988866_100015343762 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100015525214_100000194580 [0,2,0,0,0,0|2,0,0]=4 1753 B9R0.48 CCNC(=O)CNC(=O)C 240690a_100016988866_100015343762 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.48 CCNC(=O)CNC(=O)C 527a_100015525214_100000194580 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.48 CCNC(=O)CNC(=O)C 527a_100016988866_100103153847 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.48 CCNC(=O)CNC(=O)N 240690a_100015525214_100000184981 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.48 CCNC(=O)CNC(=O)N 527a_100015525214_100000184981 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.48 CCNC(=O)CSC(=O)C 11a_100015525214_100000049016 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.48 CCNC(=O)CSC(=O)C 240690a_100015525214_100000049016 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.48 CCNC(=O)CSC(=O)N 240690a_100015525214_200015941356 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.48 CCNC(=O)NCC(=O)N 2708a_100015525214_100000711301 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100000711301_100015525214 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.48 CCNC(=O)NCC(=O)N 273464a_100015525214_100000711301 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.48 CCNC(=O)NCC(=O)N 512a_100015525214_100000711301 [0,2,0,0,0,0|2,0,0]=4 1767 B9R0.48 CCOC(=O)C=CC(=O)C 1458a_100000210415_200000210301 [0,2,0,0,0,0|0,0,2]=4 1768 B9R0.48 CCOC(=O)C=CC(=O)[13CH3] 1458a_100000210415_200025704644 [0,2,0,0,0,0|0,0,2]=4 1769 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [0,2,0,0,0,0|0,0,0]=2 1770 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [0,2,0,0,0,0|0,0,0]=2 1771 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [0,2,0,0,0,0|2,0,0]=4 1774 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [0,2,0,0,0,0|2,0,0]=4 1777 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [0,2,0,0,0,0|1,0,0]=3 1778 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [0,2,0,0,0,0|1,0,0]=3 1779 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [0,2,0,0,0,0|1,0,0]=3 1780 B9R0.48 CN(CC=O)CCC(=O)N 2230a_100000730477_200015260668 [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [0,2,0,0,0,0|2,0,0]=4 1782 B9R0.48 CNCC(=O)NCC(=O)O 269956a_100000183575_200000210301 [0,2,0,0,0,0|1,0,0]=3 1783 B9R0.48 CNNC(=O)CCC(=O)N 22a_100016993582_100011215257 [0,2,0,0,0,0|1,0,0]=3 1784 B9R0.48 CNNC(=O)CNC(=O)C 22a_100016993582_100000194580 [0,2,0,0,0,0|2,0,0]=4 1785 B9R0.48 CNNC(=O)CNC(=O)N 22a_100016993582_100000184981 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.48 CNNC(=O)NCC(=O)N 273464a_100000711301_100016993582 [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.48 CNNC(=O)NCC(=O)N 512a_100016993582_100000711301 [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.48 COCC(=O)CC=C(C)C 1458a_100000210968_100000761012 [0,2,0,0,0,0|1,0,1]=4 1790 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [0,2,0,0,0,0|1,0,1]=4 1791 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [0,2,0,0,0,0|0,0,2]=4 1792 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [0,2,0,0,0,0|1,0,0]=3 1793 B9R0.48 COCC(=O)NCC(=O)N 11a_100000711301_100000210968 [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.48 COCC(=O)NCC(=O)N 240690a_100000711301_100000210968 [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.48 COCC(=O)NCC(=O)N 527a_100000711301_100000210968 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.48 COCC(=O)NNC(=O)C 22a_100000189765_100000210968 [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.48 COCC(=O)NNC(=O)C 22a_100000216845_100000070787 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [0,2,0,0,0,0|1,0,1]=4 1799 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [0,2,0,0,0,0|1,1,0]=4 1800 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [0,2,0,0,0,0|1,1,0]=4 1801 B9R0.48 CSCC(=O)NCC(=O)N 11a_100000711301_100000184570 [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.48 CSCC(=O)NCC(=O)N 240690a_100000711301_100000184570 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.48 CSCC(=O)NCC(=O)N 527a_100000711301_100000184570 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.48 N#CCC(=O)CCC(=O)N 1458a_100011215257_100011214920 [0,2,0,0,0,0|1,0,0]=3 1806 B9R0.48 N#CCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100011214920 [0,2,0,0,0,0|1,0,1]=4 1807 B9R0.48 N#CCC(=O)CNC(=O)N 1458a_100000184981_100011214920 [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.48 N#CCC(=O)NCC(=O)N 240690a_100000711301_100051588842 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.48 NC(=O)CCC(=O)CCF 1458a_100011215257_100011217306 [0,2,0,0,0,0|1,0,0]=3 1810 B9R0.48 NC(=O)CCC(=O)CCO 1458a_100011215257_100000211926 [0,2,0,0,0,0|1,0,0]=3 1811 B9R0.48 NC(=O)CNC(=O)CCO 240690a_100000711301_100011216618 [0,2,0,0,0,0|2,0,0]=4 1812 B9R0.48 NC(=O)NCC(=O)CCF 1458a_100000184981_100011217306 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.48 NC(=O)NCC(=O)CCO 1458a_100000184981_100000211926 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.48 O=C(CCF)CC[N+](=O)[O-] 1458a_200000064761_100011217306 [0,2,0,0,0,0|1,0,1]=4 1815 B9R0.48 O=C(CCO)CC[N+](=O)[O-] 1458a_200000064761_100000211926 [0,2,0,0,0,0|1,0,1]=4 1816 B9R0.48 [13CH3]NCC(=O)NCC(=O)O 269956a_100000183575_200025704644 [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.64 CCS(=O)(=O)CCC(=O)C 1458a_100000070787_100000756660 [0,2,0,0,0,0|1,0,1]=4 1818 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,2,0,0,0,0|2,0,0]=4 1822 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.39 CC(=O)NC(C#N)C(=O)N 1626a_100000039599_100015343762 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,2,0,0,0,0|1,0,1]=4 1830 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,2,0,0,0,0|2,0,0]=4 1831 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,2,0,0,0,0|2,0,0]=4 1833 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,2,0,0,0,0|2,0,0]=4 1835 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,2,0,0,0,0|2,0,0]=4 1836 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,2,0,0,0,0|2,0,0]=4 1837 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,2,0,0,0,0|1,0,1]=4 1839 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,2,0,0,0,0|1,0,0]=3 1841 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,2,0,0,0,0|1,0,0]=3 1842 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,2,0,0,0,0|2,0,0]=4 1843 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [1,0,0,1,0,0|2,0,0]=4 1844 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [1,0,0,1,0,0|2,0,0]=4 1845 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,1]=4 1846 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|1,0,1]=4 1847 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,1]=4 1848 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|1,0,1]=4 1849 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,1]=4 1850 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,1]=4 1851 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|0,0,1]=3 1852 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 1853 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 1854 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,1]=4 1855 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|0,0,1]=3 1856 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 1857 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,1]=4 1858 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,1]=4 1859 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|0,0,1]=3 1860 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [1,0,0,1,0,0|0,1,1]=4 1861 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|0,0,1]=3 1862 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,1]=4 1863 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,1|1,0,0]=3 1864 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,1|1,0,1]=4 1865 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,1|1,0,0]=3 1866 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,1,0,1|1,0,0]=3 1867 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,0,0,1,0,1|2,0,0]=4 1868 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,1|1,0,1]=4 1869 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,1|1,0,1]=4 1870 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,1,0,1|2,0,0]=4 1871 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,1,0,1|2,0,0]=4 1872 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,1,0,1|2,0,0]=4 1873 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,1,0,1|2,0,0]=4 1874 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,1|0,0,0]=2 1875 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,1,0,1|1,0,0]=3 1876 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,1|1,0,0]=3 1877 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,1|1,0,1]=4 1878 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,1|1,0,0]=3 1879 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,1,0,1|1,0,0]=3 1880 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,0,0,1,0,1|2,0,0]=4 1881 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,1|0,0,0]=2 1882 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,1,0,1|1,0,0]=3 1883 B9R1.53 C=C1CC(C1)NC(=O)C 11a_100132301982_100015343762 [0,0,0,1,0,1|2,0,0]=4 1884 B9R1.53 C=C1CC(C1)NC(=O)C 1626a_100132301982_100015343762 [0,0,0,1,0,1|2,0,0]=4 1885 B9R1.53 C=C1CC(C1)NC(=O)C 527a_100132301982_100103153847 [0,0,0,1,0,1|2,0,0]=4 1886 B9R1.53 CC(=O)CC1CC(=O)C1 1458a_100000070787_100009874392 [0,0,0,1,0,1|1,0,0]=3 1887 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100015343762 [0,0,0,1,0,1|1,0,1]=4 1888 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100015343762 [0,0,0,1,0,1|1,0,1]=4 1889 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100015343762 [0,0,0,1,0,1|1,0,1]=4 1890 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100103153847 [0,0,0,1,0,1|1,0,1]=4 1891 B9R1.53 CN1CC(C1)CC(=O)O 269956a_100016993960_200000210301 [0,0,0,1,0,1|2,0,0]=4 1892 B9R1.53 [13CH3]N1CC(C1)CC(=O)O 269956a_100016993960_200025704644 [0,0,0,1,0,1|2,0,0]=4 1893 B9R1.85 CC(=O)CCCC1CO1 1458a_100000070787_100000733510 [0,0,0,1,0,1|1,0,1]=4 1894 B9R1.85 CC(=O)COCC1CO1 34a_100000211253_102125554688 [0,0,0,1,0,1|1,0,1]=4 1895 B9R1.85 O=C(O)CNCC1CC1 269956a_100016091260_100000742324 [0,0,0,1,0,1|1,0,1]=4 1896 B9R1.85 O=C(O)CNCC1CO1 269956a_100016091260_102125554688 [0,0,0,1,0,1|0,0,2]=4 1897 B9R1.85 O=C(O)CNCC1CS1 269956a_100016091260_100000031435 [0,0,0,1,0,1|0,1,1]=4 1898 B9R1.85 O=C(O)CNC[C@@H]1CO1 269956a_100016091260_100000745022 [0,0,0,1,0,1|0,0,2]=4 1899 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [0,1,0,1,0,0|1,0,1]=4 1900 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [0,1,0,1,0,0|1,0,1]=4 1901 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [0,1,0,1,0,0|1,0,1]=4 1902 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [0,1,0,1,0,0|1,0,1]=4 1903 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [0,1,0,1,0,0|1,0,1]=4 1904 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [0,1,0,1,0,0|1,0,1]=4 1905 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [0,1,0,1,0,0|0,0,2]=4 1906 B9R1.82 C=C1CC(C1)C(=O)CC 1458a_100000065620_100000210202 [0,1,0,1,0,0|2,0,0]=4 1907 B9R1.82 C=C1CC(C1)C(=O)CF 1458a_100000065620_100015361967 [0,1,0,1,0,0|2,0,0]=4 1908 B9R1.82 C=C1CC(C1)C(=O)NC 11a_106832991635_100000065620 [0,1,0,1,0,0|2,0,0]=4 1909 B9R1.82 C=C1CC(C1)C(=O)NC 1626a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 1910 B9R1.82 C=C1CC(C1)C(=O)NC 240690a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 1911 B9R1.82 C=C1CC(C1)C(=O)NC 527a_100102657272_100000065620 [0,1,0,1,0,0|2,0,0]=4 1912 B9R1.82 CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210202 [0,1,0,1,0,0|1,0,0]=3 1913 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|1,0,1]=4 1914 B9R1.82 CNC(=O)[C@@H]1CC(=O)N1 527a_100102657272_100016090685 [0,1,0,1,0,0|1,0,0]=3 1915 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 240690a_100102657272_100015266633 [0,1,0,1,0,0|1,0,1]=4 1916 B9R1.82 CNC(=O)[C@H]1C[C@H](C1)O 527a_100102657272_100015266633 [0,1,0,1,0,0|1,0,1]=4 1917 B9R1.82 COC(=O)C1CN(C1)C 269982a_100015188540_200000210301 [0,1,0,1,0,0|2,0,0]=4 1918 B9R1.82 COC(=O)C1CN(C1)[13CH3] 269982a_100015188540_200025704644 [0,1,0,1,0,0|2,0,0]=4 1919 B9R1.82 O=C(CF)[C@H]1C[C@H](C1)O 1458a_100015266633_100015361967 [0,1,0,1,0,0|1,0,1]=4 1920 B9R1.82 O=C1C[C@H](N1)C(=O)CF 1458a_100016090685_100015361967 [0,1,0,1,0,0|1,0,0]=3 1921 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,1,0,1,0,0|1,0,1]=4 1922 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,1,0,1,0,0|1,0,1]=4 1923 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,1,0,1,0,0|1,0,1]=4 1924 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,1,0,1,0,0|1,0,1]=4 1925 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,1,0,1,0,0|1,0,1]=4 1926 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,1,0,1,0,0|1,0,1]=4 1927 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,1,0,1,0,0|1,0,1]=4 1928 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,1,0,1,0,0|1,0,1]=4 1929 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [0,0,0,0,2,0|2,0,0]=4 1930 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [0,0,0,0,2,0|2,0,0]=4 1931 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [0,0,0,0,2,0|0,0,2]=4 1932 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [0,0,0,0,2,0|1,0,1]=4 1933 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [0,0,0,0,2,0|1,0,1]=4 1934 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [0,0,0,0,2,0|1,0,1]=4 1935 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [0,0,0,0,2,0|1,0,1]=4 1936 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [0,0,0,0,2,0|0,0,2]=4 1937 B9R0.55 C=C(C)CCNCC(=O)N 2230a_100000711301_100000730704 [0,0,0,0,0,2|2,0,0]=4 1938 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [0,0,0,0,0,2|1,0,0]=3 1939 B9R0.55 C=C(C)CCOCC(=O)C 34a_100000211253_100000730704 [0,0,0,0,0,2|2,0,0]=4 1940 B9R0.55 C=C(C)CCOCC(=O)N 34a_100000764851_100000187820 [0,0,0,0,0,2|2,0,0]=4 1941 B9R0.55 C=C(C)CCOCC(=O)[O-] 34a_100000764851_100020667443 [0,0,0,0,0,2|1,0,1]=4 1942 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000730704_100000747473 [0,0,0,0,0,2|2,0,0]=4 1943 B9R0.55 C=C(C)CCSCC(=O)N 62a_100000747473_100000730704 [0,0,0,0,0,2|2,0,0]=4 1944 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100000730704_100020667443 [0,0,0,0,0,2|1,0,1]=4 1945 B9R0.55 C=C(C)CCSCC(=O)[O-] 62a_100020667443_100000730704 [0,0,0,0,0,2|1,0,1]=4 1946 B9R0.55 C=C(C)CNOCC(=O)O 269956a_100000106656_100000748629 [0,0,0,0,0,2|1,0,0]=3 1947 B9R0.55 C=C(C)COCCC(=O)C 34a_100000759926_100000748629 [0,0,0,0,0,2|2,0,0]=4 1948 B9R0.55 C=C(C)COCCC(=O)C 7a_100000759926_100000748629 [0,0,0,0,0,2|2,0,0]=4 1949 B9R0.55 C=C(C)COCCC(=O)N 34a_100000210245_100000731001 [0,0,0,0,0,2|2,0,0]=4 1950 B9R0.55 C=C(C)COCCC(=O)N 34a_100000757172_100000748629 [0,0,0,0,0,2|2,0,0]=4 1951 B9R0.55 C=C(C)COCCC(=O)N 7a_100000757172_100000748629 [0,0,0,0,0,2|2,0,0]=4 1952 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [0,0,0,0,0,2|2,0,0]=4 1953 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000053229_100000211660 [0,0,0,0,0,2|2,0,0]=4 1954 B9R0.55 C=C(C)CSCCC(=O)C 62a_100000748629_100000053229 [0,0,0,0,0,2|2,0,0]=4 1955 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000744528_100000211660 [0,0,0,0,0,2|2,0,0]=4 1956 B9R0.55 C=C(C)CSCCC(=O)N 62a_100000748629_100000744528 [0,0,0,0,0,2|2,0,0]=4 1957 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [0,0,0,0,0,2|2,0,0]=4 1958 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [0,0,0,0,0,2|2,0,0]=4 1959 B9R0.55 C=C(F)CNOCC(=O)O 269956a_100000106656_100000042424 [0,0,0,0,0,2|1,0,1]=4 1960 B9R0.55 C=C(F)COCCC(=O)C 34a_100000759926_100009893438 [0,0,0,0,0,2|2,0,0]=4 1961 B9R0.55 C=C(F)COCCC(=O)C 7a_100000759926_100000042424 [0,0,0,0,0,2|2,0,0]=4 1962 B9R0.55 C=C(F)COCOC(=O)C 34a_200010262243_100009813279 [0,0,0,0,0,2|2,0,0]=4 1963 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000042424_100000053229 [0,0,0,0,0,2|2,0,0]=4 1964 B9R0.55 C=C(F)CSCCC(=O)C 62a_100000053229_100000042424 [0,0,0,0,0,2|2,0,0]=4 1965 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [0,0,0,0,0,2|2,0,0]=4 1966 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [0,0,0,0,0,2|2,0,0]=4 1967 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [0,0,0,0,0,2|2,0,0]=4 1968 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [0,0,0,0,0,2|2,0,0]=4 1969 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [0,0,0,0,0,2|1,0,0]=3 1970 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [0,0,0,0,0,2|1,0,1]=4 1971 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [0,0,0,0,0,2|2,0,0]=4 1972 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [0,0,0,0,0,2|1,0,1]=4 1973 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [0,0,0,0,0,2|2,0,0]=4 1974 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [0,0,0,0,0,2|2,0,0]=4 1975 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [0,0,0,0,0,2|1,0,1]=4 1976 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [0,0,0,0,0,2|1,0,1]=4 1977 B9R0.55 CC(=O)CCCCB(O)O 1458a_100000070787_200009817182 [0,0,0,0,0,2|1,0,1]=4 1978 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [0,0,0,0,0,2|1,0,0]=3 1979 B9R0.55 CC(=O)CCCN=C(N)N 1458a_100000034108_200000210301 [0,0,0,0,0,2|2,0,0]=4 1980 B9R0.55 CC(=O)CCCNC(=O)C 1458a_100000194741_200000210301 [0,0,0,0,0,2|1,0,0]=3 1981 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [0,0,0,0,0,2|1,0,0]=3 1982 B9R0.55 CC(=O)CCCOC(=S)C 1458a_100000070787_200135323944 [0,0,0,0,0,2|1,1,0]=4 1983 B9R0.55 CC(=O)CCCSC(=O)C 1458a_100000070787_100000038929 [0,0,0,0,0,2|1,0,0]=3 1984 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [0,0,0,0,0,2|0,0,0]=2 1985 B9R0.55 CC(=O)CCOCC(=O)N 1458a_100000070787_100000076697 [0,0,0,0,0,2|1,0,0]=3 1986 B9R0.55 CC(=O)CCOCC(=O)N 34a_100000759926_100000187820 [0,0,0,0,0,2|1,0,0]=3 1987 B9R0.55 CC(=O)CCOCC(=O)N 7a_100000759926_100000187820 [0,0,0,0,0,2|1,0,0]=3 1988 B9R0.55 CC(=O)CCOCC(=O)[O-] 34a_100000759926_100020667443 [0,0,0,0,0,2|0,0,1]=3 1989 B9R0.55 CC(=O)CCOCC(C)O 34a_100000759926_100011218427 [0,0,0,0,0,2|1,0,1]=4 1990 B9R0.55 CC(=O)CCOCC(C)O 7a_100000759926_100011218427 [0,0,0,0,0,2|1,0,1]=4 1991 B9R0.55 CC(=O)CCOC[C@@H](C)O 34a_100000759926_100009817552 [0,0,0,0,0,2|1,0,1]=4 1992 B9R0.55 CC(=O)CCOC[C@@H](C)O 7a_100000759926_100009817552 [0,0,0,0,0,2|1,0,1]=4 1993 B9R0.55 CC(=O)CCOC[N+](=O)[O-] 34a_100000759926_100000761209 [0,0,0,0,0,2|1,0,1]=4 1994 B9R0.55 CC(=O)CCSCC(=O)N 1458a_100000148550_200000210301 [0,0,0,0,0,2|1,0,0]=3 1995 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000053229_100000747473 [0,0,0,0,0,2|1,0,0]=3 1996 B9R0.55 CC(=O)CCSCC(=O)N 62a_100000747473_100000053229 [0,0,0,0,0,2|1,0,0]=3 1997 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100000053229_100020667443 [0,0,0,0,0,2|0,0,1]=3 1998 B9R0.55 CC(=O)CCSCC(=O)[O-] 62a_100020667443_100000053229 [0,0,0,0,0,2|0,0,1]=3 1999 B9R0.55 CC(=O)CCSCC(C)O 62a_100000053229_100011218427 [0,0,0,0,0,2|1,0,1]=4 2000 B9R0.55 CC(=O)CCSCC(C)O 62a_100011218427_100000053229 [0,0,0,0,0,2|1,0,1]=4 2001 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100000053229_100009817552 [0,0,0,0,0,2|1,0,1]=4 2002 B9R0.55 CC(=O)CCSC[C@@H](C)O 62a_100009817552_100000053229 [0,0,0,0,0,2|1,0,1]=4 2003 B9R0.55 CC(=O)CCSC[N+](=O)[O-] 62a_100000053229_100000761209 [0,0,0,0,0,2|1,0,1]=4 2004 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [0,0,0,0,0,2|2,0,0]=4 2005 B9R0.55 CC(=O)COCCC(=O)N 34a_100000211253_100000731001 [0,0,0,0,0,2|1,0,0]=3 2006 B9R0.55 CC(=O)COCCC(C)O 34a_100000211253_100012276601 [0,0,0,0,0,2|1,0,1]=4 2007 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [0,0,0,0,0,2|1,0,0]=3 2008 B9R0.55 CC(=O)NCCCC(=O)N 240690a_100000739312_100015343762 [0,0,0,0,0,2|1,0,0]=3 2009 B9R0.55 CC(=O)NCCCC(=O)N 527a_100000739312_100103153847 [0,0,0,0,0,2|1,0,0]=3 2010 B9R0.55 CC(=O)NCCCC(=O)[13CH3] 1458a_100000194741_200025704644 [0,0,0,0,0,2|1,0,0]=3 2011 B9R0.55 CC(=O)NCCCS(=O)C 11a_200000753449_100015343762 [0,0,0,0,0,2|2,0,0]=4 2012 B9R0.55 CC(=O)NCCCS(=O)C 240690a_200000753449_100015343762 [0,0,0,0,0,2|2,0,0]=4 2013 B9R0.55 CC(=O)NCCCS(=O)C 527a_200000753449_100103153847 [0,0,0,0,0,2|2,0,0]=4 2014 B9R0.55 CC(=O)NCCNC(=O)C 240690a_100000209853_100015343762 [0,0,0,0,0,2|1,0,0]=3 2015 B9R0.55 CC(=O)NCCNC(=O)C 527a_100000209853_100103153847 [0,0,0,0,0,2|1,0,0]=3 2016 B9R0.55 CC(=O)NCCNC(=O)N 240690a_100020590234_100015343762 [0,0,0,0,0,2|1,0,0]=3 2017 B9R0.55 CC(=O)NCCNC(=O)N 527a_100020590234_100103153847 [0,0,0,0,0,2|1,0,0]=3 2018 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [0,0,0,0,0,2|1,0,0]=3 2019 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [0,0,0,0,0,2|1,0,0]=3 2020 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [0,0,0,0,0,2|1,0,0]=3 2021 B9R0.55 CC(=O)NCCSC(=O)C 11a_100020647217_100015343762 [0,0,0,0,0,2|1,0,0]=3 2022 B9R0.55 CC(=O)NCCSC(=O)C 240690a_100020647217_100015343762 [0,0,0,0,0,2|1,0,0]=3 2023 B9R0.55 CC(=O)NCCSC(=O)C 527a_100020647217_100103153847 [0,0,0,0,0,2|1,0,0]=3 2024 B9R0.55 CC(=O)OCNCC(=O)O 269956a_100016091260_100000076356 [0,0,0,0,0,2|0,0,0]=2 2025 B9R0.55 CC(=O)OCNCC(C)O 34a_100000210904_100009813279 [0,0,0,0,0,2|1,0,1]=4 2026 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000076356_100000747473 [0,0,0,0,0,2|1,0,0]=3 2027 B9R0.55 CC(=O)OCSCC(=O)N 62a_100000747473_100000076356 [0,0,0,0,0,2|1,0,0]=3 2028 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100000076356_100020667443 [0,0,0,0,0,2|0,0,1]=3 2029 B9R0.55 CC(=O)OCSCC(=O)[O-] 62a_100020667443_100000076356 [0,0,0,0,0,2|0,0,1]=3 2030 B9R0.55 CC(=O)OCSCC(C)O 62a_100000076356_100011218427 [0,0,0,0,0,2|1,0,1]=4 2031 B9R0.55 CC(=O)OCSCC(C)O 62a_100011218427_100000076356 [0,0,0,0,0,2|1,0,1]=4 2032 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100000076356_100009817552 [0,0,0,0,0,2|1,0,1]=4 2033 B9R0.55 CC(=O)OCSC[C@@H](C)O 62a_100009817552_100000076356 [0,0,0,0,0,2|1,0,1]=4 2034 B9R0.55 CC(=O)OCSC[N+](=O)[O-] 62a_100000076356_100000761209 [0,0,0,0,0,2|1,0,1]=4 2035 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [0,0,0,0,0,2|1,0,1]=4 2036 B9R0.55 CC(C)CNOCC(=O)O 269956a_100000106656_100000210760 [0,0,0,0,0,2|1,0,1]=4 2037 B9R0.55 CC(C)OCNCC(=O)O 269956a_100016091260_100000709892 [0,0,0,0,0,2|1,0,1]=4 2038 B9R0.55 CC(O)CCNCC(=O)O 269956a_100016091260_100012276601 [0,0,0,0,0,2|0,0,2]=4 2039 B9R0.55 CC(O)CNOCC(=O)O 269956a_100000106656_100011218427 [0,0,0,0,0,2|0,0,2]=4 2040 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [0,0,0,0,0,2|2,0,0]=4 2041 B9R0.55 C[C@@H](O)CNOCC(=O)O 269956a_100000106656_100009817552 [0,0,0,0,0,2|0,0,2]=4 2042 B9R0.55 NC(=O)CCNCC(=O)N 2230a_100000711301_100000744528 [0,0,0,0,0,2|2,0,0]=4 2043 B9R0.55 NC(=O)CCNCC(=O)O 269956a_100016091260_100000744528 [0,0,0,0,0,2|1,0,0]=3 2044 B9R0.55 NC(=O)CCOCC(=O)N 34a_100000757172_100000187820 [0,0,0,0,0,2|2,0,0]=4 2045 B9R0.55 NC(=O)CCOCC(=O)N 7a_100000757172_100000187820 [0,0,0,0,0,2|2,0,0]=4 2046 B9R0.55 NC(=O)CCOCC(=O)[O-] 34a_100000757172_100020667443 [0,0,0,0,0,2|1,0,1]=4 2047 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000744528_100000747473 [0,0,0,0,0,2|2,0,0]=4 2048 B9R0.55 NC(=O)CCSCC(=O)N 62a_100000747473_100000744528 [0,0,0,0,0,2|2,0,0]=4 2049 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100000744528_100020667443 [0,0,0,0,0,2|1,0,1]=4 2050 B9R0.55 NC(=O)CCSCC(=O)[O-] 62a_100020667443_100000744528 [0,0,0,0,0,2|1,0,1]=4 2051 B9R0.55 NC(=O)CNOCC(=O)O 269956a_100000106656_100000187820 [0,0,0,0,0,2|1,0,0]=3 2052 B9R0.55 O=C(O)CONC[N+](=O)[O-] 269956a_100000106656_100000761209 [0,0,0,0,0,2|2,0,0]=4 2053 B9R0.55 O=C([O-])CNOCC(=O)O 269956a_100000106656_100020667443 [0,0,0,0,0,2|1,0,0]=3 2054 B9R0.55 [13CH3]C(=O)CCCN=C(N)N 1458a_100000034108_200025704644 [0,0,0,0,0,2|2,0,0]=4 2055 B9R0.55 [13CH3]C(=O)CCSCC(=O)N 1458a_100000148550_200025704644 [0,0,0,0,0,2|1,0,0]=3