0 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [0,0,0,0,0,0|4,0,0]=4 23 B6R0.4 C=C(C)COCF 34a_100000210245_100015361967 [0,0,0,0,0,0|4,0,0]=4 24 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [0,0,0,0,0,0|4,0,0]=4 25 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [0,0,0,0,0,0|4,0,0]=4 26 B6R0.4 C=C(C)CSCF 62a_100000748629_100015361967 [0,0,0,0,0,0|4,0,0]=4 27 B6R0.4 C=C(C)CSCF 62a_100015361967_100000211660 [0,0,0,0,0,0|4,0,0]=4 28 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [0,0,0,0,0,0|4,0,0]=4 29 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [0,0,0,0,0,0|4,0,0]=4 30 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [0,0,0,0,0,0|4,0,0]=4 31 B6R0.4 C=C(F)COCF 34a_200010262243_100015361967 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [0,0,0,0,0,0|4,0,0]=4 34 B6R0.4 C=C(F)CSCF 62a_100000042424_100015361967 [0,0,0,0,0,0|4,0,0]=4 35 B6R0.4 C=C(F)CSCF 62a_100015361967_100000042424 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [0,0,0,0,0,0|2,0,1]=3 38 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [0,0,0,0,0,0|2,0,1]=3 39 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.4 CC(=O)C#CCO 1458a_100000049017_200000210301 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [0,0,0,0,0,0|1,0,2]=3 45 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [0,0,0,0,0,0|1,0,2]=3 46 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [0,0,0,0,0,0|2,0,0]=2 48 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [0,0,0,0,0,0|3,0,0]=3 53 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [0,0,0,0,0,0|3,0,0]=3 56 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [0,0,0,0,0,0|3,0,0]=3 57 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.4 CC(O)CSCF 62a_100011218427_100015361967 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.4 CC(O)CSCF 62a_100015361967_100011218427 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [0,0,0,0,0,0|2,0,2]=4 72 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [0,0,0,0,0,0|2,0,0]=2 79 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [0,0,0,0,0,0|2,0,0]=2 80 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [0,0,0,0,0,0|4,0,0]=4 82 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [0,0,0,0,0,0|4,0,0]=4 83 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [0,0,0,0,0,0|4,0,0]=4 84 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [0,0,0,0,0,0|4,0,0]=4 85 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [0,0,0,0,0,0|4,0,0]=4 86 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [0,0,0,0,0,0|3,0,0]=3 88 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [0,0,0,0,0,0|3,0,0]=3 89 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [0,0,0,0,0,0|3,0,0]=3 92 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [0,0,0,0,0,0|2,0,0]=2 93 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [0,0,0,0,0,0|3,0,1]=4 94 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [0,0,0,0,0,0|4,0,0]=4 98 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [0,0,0,0,0,0|3,0,0]=3 102 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [0,0,0,0,0,0|2,0,1]=3 103 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [0,0,0,0,0,0|3,0,0]=3 107 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [0,0,0,0,0,0|3,0,0]=3 109 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [0,0,0,0,0,0|3,0,0]=3 110 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [0,0,0,0,0,0|2,0,1]=3 112 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [0,0,0,0,0,0|3,0,1]=4 114 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [0,0,0,0,0,0|3,0,1]=4 115 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.4 CN(C)CCCF 2230a_100102631434_100011934791 [0,0,0,0,0,0|4,0,0]=4 118 B6R0.4 CN(C)CCCF 269982a_100102631434_100011934791 [0,0,0,0,0,0|4,0,0]=4 119 B6R0.4 CN(C)CCCO 2230a_100000213112_200000210301 [0,0,0,0,0,0|4,0,0]=4 120 B6R0.4 CN(C)CCCO 2230a_100102631434_100000230001 [0,0,0,0,0,0|4,0,0]=4 121 B6R0.4 CN(C)CCCO 269982a_100000213112_200000210301 [0,0,0,0,0,0|4,0,0]=4 122 B6R0.4 CN(C)CCCO 269982a_100102631434_100011215043 [0,0,0,0,0,0|4,0,0]=4 123 B6R0.4 CN([13CH3])CCCO 2230a_100000213112_200025704644 [0,0,0,0,0,0|4,0,0]=4 124 B6R0.4 CN([13CH3])CCCO 269982a_100000213112_200025704644 [0,0,0,0,0,0|4,0,0]=4 125 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [0,0,0,0,0,0|3,0,0]=3 126 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [0,0,0,0,0,0|3,0,0]=3 127 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [0,0,0,0,0,0|3,0,0]=3 129 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [0,0,0,0,0,0|3,0,1]=4 130 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [0,0,0,0,0,0|3,0,1]=4 131 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [0,0,0,0,0,0|3,0,1]=4 132 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [0,0,0,0,0,0|4,0,0]=4 134 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [0,0,0,0,0,0|3,0,0]=3 135 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [0,0,0,0,0,0|3,0,0]=3 136 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [0,0,0,0,0,0|3,0,0]=3 137 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [0,0,0,0,0,0|3,0,0]=3 138 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [0,0,0,0,0,0|3,0,0]=3 139 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [0,0,0,0,0,0|3,0,0]=3 140 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [0,0,0,0,0,0|3,0,0]=3 141 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [0,0,0,0,0,0|3,0,0]=3 142 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [0,0,0,0,0,0|3,0,0]=3 143 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [0,0,0,0,0,0|3,0,1]=4 144 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [0,0,0,0,0,0|3,0,0]=3 146 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [0,0,0,0,0,0|3,0,0]=3 147 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [0,0,0,0,0,0|3,0,0]=3 148 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [0,0,0,0,0,0|3,0,0]=3 149 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [0,0,0,0,0,0|3,0,0]=3 151 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [0,0,0,0,0,0|3,0,0]=3 152 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [0,0,0,0,0,0|3,0,1]=4 154 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [0,0,0,0,0,0|4,0,0]=4 155 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [0,0,0,0,0,0|4,0,0]=4 156 B6R0.4 C[C@@H](O)CSCF 62a_100009817552_100015361967 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.4 C[C@@H](O)CSCF 62a_100015361967_100009817552 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [0,0,0,0,0,0|3,0,0]=3 159 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [0,0,0,0,0,0|3,0,0]=3 160 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [0,0,0,0,0,0|2,0,0]=2 161 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [0,0,0,0,0,0|2,0,1]=3 162 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [0,0,0,0,0,0|2,0,1]=3 163 B6R0.4 O=[N+]([O-])CSCF 62a_100015361967_100000761209 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.4 [13CH3]C(=O)C#CCO 1458a_100000049017_200025704644 [0,0,0,0,0,0|2,0,2]=4 165 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [0,0,0,0,0,0|1,0,2]=3 166 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [0,0,0,0,0,0|3,0,0]=3 167 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [0,0,0,0,0,0|3,0,0]=3 168 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [0,0,0,0,0,0|3,0,0]=3 169 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [0,0,0,0,0,0|3,0,0]=3 170 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [0,0,0,0,0,0|3,0,0]=3 171 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 173 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 175 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 176 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 177 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 178 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 179 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 180 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 181 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 182 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 183 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 184 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|3,0,0]=4 185 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|3,0,0]=4 186 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|3,0,0]=4 187 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|3,0,0]=4 188 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|3,0,0]=4 189 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|3,0,0]=4 191 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|3,0,0]=4 192 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|3,0,0]=4 194 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 197 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 198 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 199 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|1,0,2]=4 201 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 203 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 204 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,2]=4 210 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,2]=4 211 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 212 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 213 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 214 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 221 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 223 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,0]=2 228 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,1]=3 229 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 239 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 240 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 241 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,0]=3 242 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 243 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,1]=3 244 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 248 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,0]=3 249 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,0]=3 250 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 251 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,1]=3 252 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,1]=3 253 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|2,0,1]=4 257 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|1,0,2]=4 261 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 262 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 263 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,0]=2 264 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,0]=3 266 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,1]=3 267 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,1]=3 268 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|3,0,0]=4 270 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|3,0,0]=4 272 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|3,0,0]=4 273 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|3,0,0]=4 276 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|3,0,0]=4 278 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|3,0,0]=4 279 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|3,0,0]=4 283 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|3,0,0]=4 284 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|3,0,0]=4 285 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|3,0,0]=4 286 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|3,0,0]=4 287 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|3,0,0]=4 291 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 292 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|3,0,0]=4 293 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 294 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|3,0,0]=4 295 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|3,0,0]=4 297 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 298 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|3,0,0]=4 299 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 300 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 301 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|3,0,0]=4 303 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|3,0,0]=4 304 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|3,0,0]=4 305 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|3,0,0]=4 306 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|2,0,0]=3 307 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,0,0]=3 311 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,1]=4 312 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|2,0,1]=4 313 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,0]=3 314 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,0]=3 315 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 318 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 319 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 320 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|3,0,0]=4 321 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 322 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,0,1]=4 323 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,0,1]=4 324 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|3,0,0]=4 326 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|3,0,0]=4 327 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|3,0,0]=4 328 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|3,0,0]=4 329 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|2,0,0]=3 330 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.2 COCCON 34a_100000700252_200000210301 [1,0,0,0,0,0|3,0,0]=4 332 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|3,0,0]=4 333 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|3,0,0]=4 334 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|2,0,1]=4 335 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|2,0,1]=4 336 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,0,0,0,0|2,0,1]=4 337 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,0]=3 338 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,0]=3 339 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 343 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 344 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|3,0,0]=4 345 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|3,0,0]=4 346 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|3,0,0]=4 347 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|2,0,0]=3 348 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,0,0,0,0,0|3,0,0]=4 349 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|3,0,0]=4 350 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|3,0,0]=4 351 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|2,0,1]=4 353 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,1,0,0,0,0|3,0,0]=4 361 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,1,0,0,0,0|3,0,0]=4 362 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,1,0,0,0,0|2,0,0]=3 367 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,1,0,0,0,0|2,0,0]=3 368 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,1,0,0,0,0|3,0,0]=4 370 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,1,0,0,0,0|3,0,0]=4 371 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,1,0,0,0,0|3,0,0]=4 372 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,1,0,0,0,0|2,0,0]=3 374 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,1,0,0,0,0|2,0,0]=3 375 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,1,0,0,0,0|2,0,0]=3 376 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,1,0,0,0,0|3,0,0]=4 378 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,1,0,0,0,0|3,0,0]=4 379 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,1,0,0,0,0|2,0,0]=3 381 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,1,0,0,0,0|2,0,0]=3 382 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,1,0,0,0,0|2,0,0]=3 386 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,1,0,0,0,0|2,0,0]=3 387 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [0,1,0,0,0,0|1,0,2]=4 391 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.3 C#CC(=O)CCC#N 1458a_100000211873_100011215226 [0,1,0,0,0,0|1,0,2]=4 393 B7R0.3 C#CC(=O)CCC=C 1458a_100000211873_100000754431 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,1,0,0,0,0|2,0,0]=3 395 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,1,0,0,0,0|2,0,0]=3 396 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,1,0,0,0,0|2,0,0]=3 397 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.3 C#CCCC(=O)C#C 1458a_100000211873_100000753159 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [0,1,0,0,0,0|2,0,1]=4 401 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,1,0,0,0,0|2,0,1]=4 402 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,1,0,0,0,0|2,0,1]=4 403 B7R0.3 C#CCCC(=O)CF 1458a_100000692101_100015361967 [0,1,0,0,0,0|2,0,1]=4 404 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [0,1,0,0,0,0|1,0,1]=3 405 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,1,0,0,0,0|2,0,1]=4 406 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,1,0,0,0,0|2,0,1]=4 409 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,1,0,0,0,0|2,0,1]=4 411 B7R0.3 C/C=C/CC(=O)CO 1458a_100000210174_100102629194 [0,1,0,0,0,0|1,0,2]=4 412 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [0,1,0,0,0,0|1,0,2]=4 413 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,1,0,0,0,0|2,0,0]=3 414 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,1,0,0,0,0|2,0,0]=3 415 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,1,0,0,0,0|2,0,0]=3 416 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,1,0,0,0,0|3,0,0]=4 417 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,1,0,0,0,0|3,0,0]=4 418 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,1,0,0,0,0|3,0,0]=4 419 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,1,0,0,0,0|3,0,0]=4 420 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,1,0,0,0,0|3,0,0]=4 421 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,1,0,0,0,0|3,0,0]=4 422 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,1,0,0,0,0|3,0,0]=4 423 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,1,0,0,0,0|2,0,1]=4 426 B7R0.3 C=CCCC(=O)CF 1458a_100000749702_100015361967 [0,1,0,0,0,0|2,0,1]=4 427 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [0,1,0,0,0,0|1,0,1]=3 428 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,1,0,0,0,0|2,0,1]=4 429 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 430 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 431 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,1,0,0,0,0|2,0,1]=4 432 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,1,0,0,0,0|2,0,1]=4 433 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,1,0,0,0,0|2,0,1]=4 434 B7R0.3 CC#CCC(=O)CO 1458a_100000210174_100000748600 [0,1,0,0,0,0|1,0,2]=4 435 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 437 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|2,0,1]=4 438 B7R0.3 CC=CCC(=O)CO 1458a_100000210174_100000070051 [0,1,0,0,0,0|1,0,2]=4 439 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,1,0,0,0,0|1,0,2]=4 440 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,1,0,0,0,0|1,0,2]=4 441 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,1,0,0,0,0|2,0,0]=3 442 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,1,0,0,0,0|2,0,0]=3 443 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,1,0,0,0,0|3,0,0]=4 444 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,1,0,0,0,0|3,0,0]=4 446 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,1,0,0,0,0|3,0,0]=4 447 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 451 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,1,0,0,0,0|2,0,0]=3 457 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,1,0,0,0,0|2,0,0]=3 458 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,1,0,0,0,0|2,0,0]=3 459 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,1,0,0,0,0|1,0,0]=2 460 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 463 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,1,0,0,0,0|2,0,0]=3 464 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,1,0,0,0,0|2,0,1]=4 465 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,1,0,0,0,0|2,0,1]=4 466 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|3,0,0]=4 473 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,0]=3 475 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,1,0,0,0,0|3,0,0]=4 481 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,1,0,0,0,0|3,0,0]=4 482 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,1,0,0,0,0|3,0,0]=4 487 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,1,0,0,0,0|3,0,0]=4 488 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,1,0,0,0,0|3,0,0]=4 489 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,1,0,0,0,0|3,0,0]=4 490 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,1,0,0,0,0|3,0,0]=4 491 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,1,0,0,0,0|2,0,0]=3 495 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,1,0,0,0,0|3,0,0]=4 497 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,1,0,0,0,0|1,0,2]=4 508 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,1,0,0,0,0|1,0,2]=4 509 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,1,0,0,0,0|1,0,2]=4 510 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,1,0,0,0,0|1,0,2]=4 511 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,1,0,0,0,0|3,0,0]=4 512 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,1,0,0,0,0|3,0,0]=4 513 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,1,0,0,0,0|3,0,0]=4 514 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,1,0,0,0,0|3,0,0]=4 515 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,1,0,0,0,0|3,0,0]=4 516 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,1,0,0,0,0|3,0,0]=4 517 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,1,0,0,0,0|3,0,0]=4 520 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,1,0,0,0,0|3,0,0]=4 527 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,1,0,0,0,0|3,0,0]=4 528 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,1,0,0,0,0|3,0,0]=4 534 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,1,0,0,0,0|3,0,0]=4 535 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,1,0,0,0,0|3,0,0]=4 536 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,1,0,0,0,0|3,0,0]=4 538 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,1,0,0,0,0|3,0,0]=4 539 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,1,0,0,0,0|3,0,0]=4 541 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,1,0,0,0,0|3,0,0]=4 542 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,1,0,0,0,0|3,0,0]=4 543 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,1,0,0,0,0|2,0,0]=3 550 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,1,0,0,0,0|2,0,0]=3 551 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,1,0,0,0,0|2,0,0]=3 552 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,1,0,0,0,0|2,0,0]=3 553 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 556 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 557 B7R0.3 COCCC(=NO)N 34a_100000749954_200000210301 [0,1,0,0,0,0|3,0,0]=4 558 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,1,0,0,0,0|2,0,0]=3 560 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,1,0,0,0,0|2,0,0]=3 561 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,1,0,0,0,0|3,0,0]=4 562 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,1,0,0,0,0|2,0,0]=3 563 B7R0.3 N#CCCC(=O)CF 1458a_100011934036_100015361967 [0,1,0,0,0,0|1,0,2]=4 564 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [0,1,0,0,0,0|0,0,2]=3 565 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,1,0,0,0,0|1,0,2]=4 566 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,1,0,0,0,0|1,0,0]=2 567 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,1,0,0,0,0|1,0,0]=2 568 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 569 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|2,0,0]=3 570 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 571 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,0]=3 572 B7R0.3 [13CH3]OCCC(=NO)N 34a_100000749954_200025704644 [0,1,0,0,0,0|3,0,0]=4 573 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,0,0,0,0|2,0,0]=3 575 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,0,0,0,0|2,0,0]=3 576 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 577 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 579 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,1,0,0,0,0|2,0,1]=4 580 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,0,0,0,0|1,0,1]=3 583 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,1,0,0,0,0|1,0,2]=4 584 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,1,0,0,0,0|1,0,2]=4 589 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,1,0,0,0,0|1,0,2]=4 591 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,1,0,0,0,0|3,0,0]=4 592 B7R0.4 C=C(Br)CCOCF 34a_100009813270_100015361967 [0,1,0,0,0,0|3,0,0]=4 593 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,1,0,0,0,0|3,0,0]=4 594 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,1,0,0,0,0|3,0,0]=4 595 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,1,0,0,0,0|3,0,0]=4 596 B7R0.4 C=C(C)CCOCF 34a_100000764851_100015361967 [0,1,0,0,0,0|3,0,0]=4 597 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,1,0,0,0,0|3,0,0]=4 598 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,1,0,0,0,0|3,0,0]=4 599 B7R0.4 C=C(C)CCSCF 62a_100000730704_100015361967 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.4 C=C(C)CCSCF 62a_100015361967_100000730704 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,0,0,0,0|3,0,0]=4 602 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,0,0,0,0|3,0,0]=4 604 B7R0.4 C=C(C)COCCBr 34a_100000211926_100000748629 [0,1,0,0,0,0|3,0,0]=4 605 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,1,0,0,0,0|3,0,0]=4 606 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,1,0,0,0,0|3,0,0]=4 607 B7R0.4 C=C(C)COCCF 34a_100000210245_100011217306 [0,1,0,0,0,0|3,0,0]=4 608 B7R0.4 C=C(C)COCCN 34a_100000210304_100000748629 [0,1,0,0,0,0|2,0,0]=3 609 B7R0.4 C=C(C)COCCO 34a_100000210245_100000211926 [0,1,0,0,0,0|3,0,0]=4 610 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,1,0,0,0,0|3,0,0]=4 611 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,1,0,0,0,0|3,0,0]=4 612 B7R0.4 C=C(C)CSCCF 62a_100000748629_100011217306 [0,1,0,0,0,0|3,0,0]=4 613 B7R0.4 C=C(C)CSCCF 62a_100011217306_100000211660 [0,1,0,0,0,0|3,0,0]=4 614 B7R0.4 C=C(C)CSCCO 62a_100000211926_100000211660 [0,1,0,0,0,0|3,0,0]=4 615 B7R0.4 C=C(C)CSCCO 62a_100000748629_100000211926 [0,1,0,0,0,0|3,0,0]=4 616 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,1,0,0,0,0|3,0,0]=4 617 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,1,0,0,0,0|3,0,0]=4 618 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.4 C=C(F)COCCBr 34a_100000211926_100009893438 [0,1,0,0,0,0|3,0,0]=4 620 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,1,0,0,0,0|3,0,0]=4 621 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,1,0,0,0,0|3,0,0]=4 622 B7R0.4 C=C(F)COCCF 34a_200010262243_100011217306 [0,1,0,0,0,0|3,0,0]=4 623 B7R0.4 C=C(F)COCCN 34a_100000210304_100009893438 [0,1,0,0,0,0|2,0,0]=3 624 B7R0.4 C=C(F)COCCO 34a_200010262243_100000211926 [0,1,0,0,0,0|3,0,0]=4 625 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.4 C=C(F)CSCCF 62a_100000042424_100011217306 [0,1,0,0,0,0|3,0,0]=4 628 B7R0.4 C=C(F)CSCCF 62a_100011217306_100000042424 [0,1,0,0,0,0|3,0,0]=4 629 B7R0.4 C=C(F)CSCCO 62a_100000042424_100000211926 [0,1,0,0,0,0|3,0,0]=4 630 B7R0.4 C=C(F)CSCCO 62a_100000211926_100000042424 [0,1,0,0,0,0|3,0,0]=4 631 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,0,0,0,0|2,0,0]=3 633 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,0,0,0,0|2,0,1]=4 635 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,0,0,0,0|2,0,1]=4 636 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,0,0,0,0|2,0,1]=4 637 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,0,0,0,0|2,0,1]=4 638 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,0,0,0,0|2,0,1]=4 640 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,0,0,0,0|1,0,1]=3 641 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,0,0,0,0|2,0,1]=4 642 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,0,0,0,0|1,0,2]=4 644 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,0,0,0,0|2,0,1]=4 645 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,0,0,0,0|2,0,1]=4 646 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,0,0,0,0|2,0,1]=4 647 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,0,0,0,0|1,0,2]=4 649 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,0,0,0,0|1,0,2]=4 650 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,0,0,0,0|2,0,1]=4 651 B7R0.4 CC(=O)CC#CCO 1458a_100000070787_200000047223 [0,1,0,0,0,0|2,0,1]=4 652 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,0,0,0,0|1,0,1]=3 653 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,0,0,0,0|1,0,1]=3 654 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|2,0,0]=3 655 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|2,0,0]=3 664 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|2,0,0]=3 665 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,0,0,0,0|2,0,1]=4 667 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|2,0,0]=3 668 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|2,0,0]=3 669 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|2,0,0]=3 670 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,0,0,0,0|1,0,2]=4 671 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,1,0,0,0,0|1,0,2]=4 672 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,1,0,0,0,0|1,0,2]=4 673 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,1,0,0,0,0|1,0,2]=4 674 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,1,0,0,0,0|1,0,2]=4 675 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,0,0,0,0|2,0,0]=3 676 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,0,0,0,0|2,0,0]=3 678 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,0,0,0,0|3,0,0]=4 684 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,1,0,0,0,0|3,0,0]=4 686 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,0,0,0,0|3,0,0]=4 687 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,0,0,0,0|3,0,0]=4 688 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,1,0,0,0,0|3,0,0]=4 689 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,1,0,0,0,0|3,0,0]=4 690 B7R0.4 CC(C)CCCN[13CH3] 2230a_200000737386_200025704644 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.4 CC(C)CCCN[13CH3] 34a_200000737386_200025704644 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.4 CC(C)OCCCN 34a_100000182051_100000210206 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.4 CC(O)CCCS[13CH3] 62a_200000718107_200025704644 [0,1,0,0,0,0|2,0,1]=4 695 B7R0.4 CC(O)CCCS[13CH3] 62a_200025704644_200000718107 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.4 CC(O)CCSCF 62a_100012276601_100015361967 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.4 CC(O)CCSCF 62a_100015361967_100012276601 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|2,0,1]=4 700 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,0,0,0,0|2,0,1]=4 701 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,0,0,0,0|2,0,1]=4 703 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,0,0,0,0|1,0,1]=3 707 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,0,0,0,0|2,0,1]=4 709 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,1,0,0,0,0|2,0,1]=4 712 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,1,0,0,0,0|2,0,1]=4 715 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|2,0,0]=3 720 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|2,0,0]=3 721 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|2,0,0]=3 722 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|2,0,0]=3 723 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|2,0,0]=3 724 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|2,0,0]=3 725 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|2,0,0]=3 726 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|2,0,0]=3 727 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|1,0,0]=2 728 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,0,0,0,0|2,0,1]=4 730 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|2,0,0]=3 732 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|2,0,0]=3 733 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|2,0,0]=3 734 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|2,0,0]=3 735 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|1,0,1]=3 736 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,0,0,0,0|2,0,1]=4 737 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,0,0,0,0|2,0,1]=4 738 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|2,0,0]=3 740 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|2,0,0]=3 741 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|2,0,0]=3 742 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|1,0,1]=3 744 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|1,0,1]=3 745 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,0,0,0,0|2,0,1]=4 746 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,0,0,0,0|2,0,1]=4 749 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,1,0,0,0,0|2,0,1]=4 750 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|2,0,0]=3 751 B7R0.4 CCNCCC(C)O 2230a_100015525214_100012276601 [0,1,0,0,0,0|2,0,1]=4 752 B7R0.4 CCNCCC(C)O 2230a_200000755665_100000210202 [0,1,0,0,0,0|2,0,1]=4 753 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,1,0,0,0,0|2,0,0]=3 754 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|2,0,0]=3 755 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|2,0,0]=3 756 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|2,0,0]=3 757 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|2,0,0]=3 758 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|2,0,0]=3 759 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|2,0,0]=3 760 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|2,0,0]=3 761 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|2,0,0]=3 762 B7R0.4 CCOCCC(C)O 34a_100121572206_100012276601 [0,1,0,0,0,0|2,0,1]=4 763 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,1,0,0,0,0|3,0,0]=4 764 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|2,0,0]=3 765 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|2,0,0]=3 766 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|2,0,0]=3 767 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|2,0,0]=3 768 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|2,0,0]=3 769 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|2,0,0]=3 770 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|2,0,0]=3 771 B7R0.4 CCSCCC(C)O 62a_100000210202_100012276601 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.4 CCSCCC(C)O 62a_100012276601_100000210202 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,1,0,0,0,0|3,0,0]=4 774 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,1,0,0,0,0|3,0,0]=4 775 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,1,0,0,0,0|2,0,1]=4 776 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [0,1,0,0,0,0|2,0,1]=4 779 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [0,1,0,0,0,0|2,0,1]=4 780 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [0,1,0,0,0,0|2,0,1]=4 781 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|1,0,0]=2 782 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|1,0,0]=2 783 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|1,0,0]=2 784 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|1,0,0]=2 785 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|1,0,0]=2 786 B7R0.4 CNCCCC(C)C 2230a_106832991635_100011214892 [0,1,0,0,0,0|2,0,1]=4 787 B7R0.4 CNCCCC(C)C 2230a_200000737386_200000210301 [0,1,0,0,0,0|2,0,1]=4 788 B7R0.4 CNCCCC(C)C 34a_100102657272_100011214892 [0,1,0,0,0,0|2,0,1]=4 789 B7R0.4 CNCCCC(C)C 34a_200000737386_200000210301 [0,1,0,0,0,0|2,0,1]=4 790 B7R0.4 CNCCCC(C)C 7a_106832991635_100011214892 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.4 CNCCCC(C)O 2230a_106832991635_200000718107 [0,1,0,0,0,0|1,0,1]=3 792 B7R0.4 CNCCCC(C)O 34a_100102657272_200000718107 [0,1,0,0,0,0|1,0,1]=3 793 B7R0.4 CNCCCC(C)O 7a_106832991635_200000718107 [0,1,0,0,0,0|1,0,1]=3 794 B7R0.4 CNCCCN(C)C 7a_106832991635_100000757444 [0,1,0,0,0,0|3,0,0]=4 795 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,0,0,0,0|2,0,0]=3 797 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,0,0,0,0|2,0,0]=3 798 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,0,0,0,0|2,0,0]=3 799 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,0,0,0,0|2,0,0]=3 800 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,0,0,0,0|2,0,0]=3 801 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,0,0,0,0|2,0,0]=3 802 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,0,0,0,0|2,0,0]=3 803 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,0,0,0,0|2,0,0]=3 804 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,0,0,0,0|2,0,0]=3 805 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,0,0,0,0|2,0,0]=3 806 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|2,0,0]=3 807 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|2,0,0]=3 808 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|2,0,0]=3 809 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|2,0,0]=3 810 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|2,0,0]=3 811 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|2,0,0]=3 812 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|2,0,0]=3 813 B7R0.4 COCCCC(C)O 34a_100138415774_200000718107 [0,1,0,0,0,0|2,0,1]=4 814 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,0,0,0,0|2,0,1]=4 815 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,0,0,0,0|3,0,0]=4 816 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,0,0,0,0|3,0,0]=4 817 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,0,0,0,0|3,0,0]=4 818 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,0,0,0,0|3,0,0]=4 819 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,0,0,0,0|3,0,0]=4 820 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,0,0,0,0|3,0,0]=4 821 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,0,0,0,0|3,0,0]=4 822 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,0,0,0,0|3,0,0]=4 823 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,0,0,0,0|3,0,0]=4 824 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|2,0,0]=3 825 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|3,0,0]=4 826 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|3,0,0]=4 827 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|2,0,1]=4 828 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|2,0,1]=4 829 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,0,0,0,0|2,0,0]=3 830 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|2,0,0]=3 831 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|2,0,0]=3 832 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|2,0,0]=3 833 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|2,0,0]=3 834 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|2,0,0]=3 835 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.4 CSCCCC(C)O 62a_200000210301_200000718107 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.4 CSCCCC(C)O 62a_200000718107_200000210301 [0,1,0,0,0,0|2,0,1]=4 838 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 839 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 840 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 841 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,0,0,0,0|3,0,0]=4 842 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,0,0,0,0|3,0,0]=4 843 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,0,0,0,0|3,0,0]=4 844 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,0,0,0,0|3,0,0]=4 845 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,0,0,0,0|3,0,0]=4 847 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,0,0,0,0|3,0,0]=4 848 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,0,0,0,0|3,0,0]=4 849 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,0,0,0,0|3,0,0]=4 850 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|3,0,0]=4 851 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|3,0,0]=4 853 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|3,0,0]=4 854 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|3,0,0]=4 855 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|2,0,1]=4 856 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,0,0,0,0|2,0,1]=4 858 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,0,0,0,0|2,0,1]=4 859 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,0,0,0,0|2,0,1]=4 860 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,0,0,0,0|2,0,1]=4 861 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,0,0,0,0|1,0,1]=3 862 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,0,0,0,0|2,0,1]=4 863 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,0,0,0,0|2,0,1]=4 864 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,0,0,0,0|2,0,1]=4 865 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,0,0,0,0|2,0,1]=4 866 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,1,0,0,0,0|1,0,2]=4 867 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,0,0,0,0|0,0,2]=3 868 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,1,0,0,0,0|1,0,2]=4 869 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,1,0,0,0,0|1,0,2]=4 870 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,1,0,0,0,0|0,0,3]=4 871 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,1,0,0,0,0|0,0,3]=4 872 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,0,0,0,0|2,0,0]=3 873 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,0,0,0,0|2,0,0]=3 874 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,0,0,0,0|2,0,0]=3 875 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,0,0,0,0|2,0,0]=3 876 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,0,0,0,0|2,0,1]=4 877 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|2,0,0]=3 878 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|2,0,0]=3 879 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|2,0,0]=3 880 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|2,0,0]=3 881 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|2,0,0]=3 882 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,0,0,0,0|2,0,0]=3 883 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,0,0,0,0|2,0,0]=3 886 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,0,0,0,0|2,0,0]=3 887 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|2,0,0]=3 888 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|2,0,0]=3 889 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,0,0,0,0|1,0,0]=2 890 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,0,0,0,0|0,0,1]=2 891 B7R0.4 NCCOCC(F)F 34a_100000210304_100011934356 [0,1,0,0,0,0|2,0,1]=4 892 B7R0.4 NCCOC[N+](=O)[O-] 34a_100000210304_100000761209 [0,1,0,0,0,0|1,0,1]=3 893 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|1,0,0]=2 894 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|1,0,0]=2 895 B7R0.4 O=C(O)CONCF 269956a_100000106656_100015361967 [0,1,0,0,0,0|2,0,0]=3 896 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|1,0,1]=3 897 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|1,0,1]=3 898 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,0,0,0,0|1,0,1]=3 899 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,0,0,0,0|1,0,1]=3 900 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,0,0,0,0|1,0,1]=3 901 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|1,0,1]=3 902 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|1,0,1]=3 903 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,0,0,0,0|1,0,1]=3 904 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,0,0,0,0|1,0,2]=4 905 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,0,0,0,0|1,0,2]=4 906 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,1,0,0,0,0|2,0,1]=4 907 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,1,0,0,0,0|2,0,1]=4 908 B7R0.4 O=[N+]([O-])COCCBr 34a_100000211926_100000761209 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.4 O=[N+]([O-])CSCCF 62a_100011217306_100000761209 [0,1,0,0,0,0|2,0,1]=4 910 B7R0.4 O=[N+]([O-])CSCCO 62a_100000211926_100000761209 [0,1,0,0,0,0|2,0,1]=4 911 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,0,0,0,0|1,0,1]=3 912 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|2,0,0]=3 913 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|2,0,0]=3 915 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,0,0,0,0|1,0,2]=4 916 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|1,0,0]=2 917 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,0,0,0,0|2,0,0]=3 918 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,0,0,0,0|2,0,1]=4 919 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,0,0,0,0|3,0,0]=4 921 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|2,0,0]=3 922 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|2,0,0]=3 923 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,0,0,0,0|3,0,0]=4 924 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,0,0,0,0|3,0,0]=4 925 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,0,0,0,0|3,0,0]=4 926 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,0,0,0,0|3,0,0]=4 927 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|2,0,1]=4 929 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|1,0,2]=4 930 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|2,0,0]=3 931 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|3,0,0]=4 933 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|3,0,0]=4 936 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|3,0,0]=4 937 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|3,0,0]=4 938 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|3,0,0]=4 940 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|3,0,0]=4 941 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 945 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|3,0,0]=4 948 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|2,0,0]=3 949 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|2,0,0]=3 950 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|3,0,0]=4 951 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|3,0,0]=4 952 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|2,0,0]=3 954 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|3,0,0]=4 957 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|3,0,0]=4 958 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|3,0,0]=4 959 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|3,0,0]=4 960 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|3,0,0]=4 961 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|2,0,1]=4 962 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|3,0,0]=4 964 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|3,0,0]=4 965 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|3,0,0]=4 966 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|3,0,0]=4 967 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|3,0,0]=4 968 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|3,0,0]=4 969 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|3,0,0]=4 970 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|3,0,0]=4 971 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|3,0,0]=4 972 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|2,0,0]=3 976 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|2,0,0]=3 977 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|3,0,0]=4 978 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|3,0,0]=4 979 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|3,0,0]=4 980 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|3,0,0]=4 981 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|3,0,0]=4 982 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|3,0,0]=4 983 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|3,0,0]=4 984 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|3,0,0]=4 985 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|3,0,0]=4 986 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|3,0,0]=4 987 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|3,0,0]=4 988 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|2,0,0]=3 989 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|2,0,1]=4 990 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,1,0,0,0,0|3,0,0]=4 991 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,1,0,0,0,0|3,0,0]=4 992 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,1,0,0,0,0|2,0,1]=4 994 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|2,0,0]=3 995 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|3,0,0]=4 996 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [0,1,0,0,0,0|2,0,1]=4 997 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [0,1,0,0,0,0|2,0,1]=4 998 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [0,1,0,0,0,0|2,0,1]=4 999 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [0,1,0,0,0,0|1,0,1]=3 1000 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [0,1,0,0,0,0|2,0,0]=3 1001 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [0,1,0,0,0,0|2,0,0]=3 1002 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [0,1,0,0,0,0|2,0,0]=3 1003 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [0,1,0,0,0,0|3,0,0]=4 1004 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [0,1,0,0,0,0|3,0,0]=4 1005 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [0,1,0,0,0,0|3,0,0]=4 1006 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [0,1,0,0,0,0|2,0,1]=4 1007 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [0,1,0,0,0,0|3,0,0]=4 1008 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [0,1,0,0,0,0|3,0,0]=4 1009 B7R0.6 CC(=O)COC(F)F 1458a_200000719455_200000210301 [0,1,0,0,0,0|3,0,0]=4 1010 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [0,1,0,0,0,0|3,0,0]=4 1011 B7R0.6 CC(=O)CSC(F)F 1458a_114828291038_200000210301 [0,1,0,0,0,0|3,0,0]=4 1012 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [0,1,0,0,0,0|2,0,1]=4 1013 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [0,1,0,0,0,0|2,0,1]=4 1014 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [0,1,0,0,0,0|2,0,1]=4 1015 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [0,1,0,0,0,0|3,0,0]=4 1016 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [0,1,0,0,0,0|3,0,0]=4 1017 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [0,1,0,0,0,0|3,0,0]=4 1018 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [0,1,0,0,0,0|3,0,0]=4 1019 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [0,1,0,0,0,0|3,0,0]=4 1020 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [0,1,0,0,0,0|3,0,0]=4 1021 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [0,1,0,0,0,0|3,0,0]=4 1022 B7R0.6 CC(=O)NCC(F)F 11a_100000765723_100015343762 [0,1,0,0,0,0|3,0,0]=4 1023 B7R0.6 CC(=O)NCC(F)F 1626a_100000765723_100015343762 [0,1,0,0,0,0|3,0,0]=4 1024 B7R0.6 CC(=O)NCC(F)F 240690a_100000765723_100015343762 [0,1,0,0,0,0|3,0,0]=4 1025 B7R0.6 CC(=O)NCC(F)F 527a_100000765723_100103153847 [0,1,0,0,0,0|3,0,0]=4 1026 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [0,1,0,0,0,0|2,0,0]=3 1027 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [0,1,0,0,0,0|3,0,0]=4 1028 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [0,1,0,0,0,0|3,0,0]=4 1029 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [0,1,0,0,0,0|3,0,0]=4 1030 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [0,1,0,0,0,0|2,0,0]=3 1031 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [0,1,0,0,0,0|2,0,1]=4 1032 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [0,1,0,0,0,0|3,0,0]=4 1033 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [0,1,0,0,0,0|3,0,0]=4 1034 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [0,1,0,0,0,0|2,0,1]=4 1035 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [0,1,0,0,0,0|3,0,0]=4 1036 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [0,1,0,0,0,0|3,0,0]=4 1037 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [0,1,0,0,0,0|3,0,0]=4 1038 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [0,1,0,0,0,0|2,0,1]=4 1039 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [0,1,0,0,0,0|2,0,1]=4 1040 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [0,1,0,0,0,0|3,0,0]=4 1041 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [0,1,0,0,0,0|3,0,0]=4 1042 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [0,1,0,0,0,0|3,0,0]=4 1043 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [0,1,0,0,0,0|3,0,0]=4 1044 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [0,1,0,0,0,0|3,0,0]=4 1045 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [0,1,0,0,0,0|1,0,1]=3 1046 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [0,1,0,0,0,0|3,0,0]=4 1047 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [0,1,0,0,0,0|2,0,1]=4 1048 B7R0.6 [13CH3]C(=O)COC(F)F 1458a_200000719455_200025704644 [0,1,0,0,0,0|3,0,0]=4 1049 B7R0.6 [13CH3]C(=O)CSC(F)F 1458a_114828291038_200025704644 [0,1,0,0,0,0|3,0,0]=4 1050 B7R1.10 CSC1CC(=O)C1 62a_100009894365_200000210301 [0,0,0,1,0,0|3,0,0]=4 1051 B7R1.10 [13CH3]SC1CC(=O)C1 62a_100009894365_200025704644 [0,0,0,1,0,0|3,0,0]=4 1052 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|2,0,0]=3 1053 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,0]=3 1054 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|2,0,0]=3 1055 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,0]=3 1056 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|2,0,0]=3 1057 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|2,0,0]=3 1058 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|2,0,0]=3 1059 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|3,0,0]=4 1060 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|3,0,0]=4 1061 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|3,0,0]=4 1062 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|3,0,0]=4 1063 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|3,0,0]=4 1064 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|2,0,0]=3 1065 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|2,0,0]=3 1066 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|3,0,0]=4 1067 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [0,0,0,1,0,0|2,0,0]=3 1068 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [0,0,0,1,0,0|2,0,0]=3 1069 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [0,0,0,1,0,0|2,0,0]=3 1070 B7R1.20 CC(=O)CC1CS1 1458a_100000070787_100000031435 [0,0,0,1,0,0|2,0,0]=3 1071 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [0,0,0,1,0,0|2,0,0]=3 1072 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [0,0,0,1,0,0|3,0,0]=4 1073 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [0,0,0,1,0,0|3,0,0]=4 1074 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [0,0,0,1,0,0|3,0,0]=4 1075 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [0,0,0,1,0,0|2,0,0]=3 1076 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|2,0,0]=4 1077 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|2,0,0]=4 1078 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|1,0,0]=3 1079 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|1,0,0]=3 1080 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|1,0,0]=3 1081 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|2,0,0]=4 1082 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 1083 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|2,0,0]=4 1084 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|2,0,0]=4 1085 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|2,0,0]=4 1086 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|2,0,0]=4 1087 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|2,0,0]=4 1088 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|2,0,0]=4 1089 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|2,0,0]=4 1090 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|2,0,0]=4 1091 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 1092 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 1093 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 1094 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 1095 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 1096 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 1097 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 1098 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 1099 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|2,0,0]=4 1100 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 1101 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 1102 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 1103 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 1104 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 1105 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1106 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 1107 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 1108 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1109 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 1110 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 1111 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,1]=4 1112 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 1113 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,1]=4 1114 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,1]=4 1115 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 1116 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 1117 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|1,0,1]=4 1118 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 1119 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 1120 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 1121 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 1122 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,1]=4 1123 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,1]=4 1124 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,1]=4 1125 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|1,0,1]=4 1126 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 1127 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 1128 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 1129 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,1]=4 1130 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,0]=3 1131 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|2,0,0]=4 1132 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|2,0,0]=4 1133 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|0,0,2]=4 1134 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,0]=3 1135 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,1,0,0,0,0|2,0,0]=4 1136 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,1,0,0,0,0|2,0,0]=4 1137 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|2,0,0]=4 1138 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 1139 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 1140 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|2,0,0]=4 1141 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1142 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 1143 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|2,0,0]=4 1144 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|2,0,0]=4 1145 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|2,0,0]=4 1146 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|2,0,0]=4 1147 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|2,0,0]=4 1148 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|2,0,0]=4 1149 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|2,0,0]=4 1150 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|2,0,0]=4 1151 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,0]=3 1152 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,0]=3 1153 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,0]=3 1154 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,0]=2 1155 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,0]=3 1156 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1157 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1158 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 1159 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 1164 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1165 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1166 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 1167 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1168 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 1169 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 1170 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 1171 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1172 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 1173 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 1174 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 1175 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|2,0,0]=4 1176 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|2,0,0]=4 1177 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|2,0,0]=4 1178 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 1179 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 1180 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|2,0,0]=4 1181 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|2,0,0]=4 1182 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 1183 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|2,0,0]=4 1184 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|2,0,0]=4 1185 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 1186 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 1187 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 1188 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1189 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|2,0,0]=4 1190 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1191 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|2,0,0]=4 1192 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|2,0,0]=4 1193 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 1194 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|2,0,0]=4 1195 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 1196 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1197 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,0]=3 1198 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 1199 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 1200 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,0]=3 1201 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,0]=3 1202 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,0]=3 1203 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,0]=3 1204 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|2,0,0]=4 1205 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,0]=3 1206 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|2,0,0]=4 1207 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|0,0,2]=4 1208 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|2,0,0]=4 1209 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,0]=3 1210 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,0]=3 1211 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 1212 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 1213 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 1214 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,0,2]=4 1215 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 1216 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 1217 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,0]=3 1218 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 1219 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,0]=3 1221 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|2,0,0]=4 1222 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1223 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1224 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 1225 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 1226 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 1227 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|2,0,0]=4 1228 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|2,0,0]=4 1229 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|2,0,0]=4 1230 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,0]=3 1231 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|2,0,0]=4 1232 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|1,0,1]=4 1233 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|2,0,0]=4 1234 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,0]=3 1235 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,0]=3 1236 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|2,0,0]=4 1237 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 1238 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|2,0,0]=4 1239 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|2,0,0]=4 1240 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|2,0,0]=4 1241 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|2,0,0]=4 1242 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,1,0,0,0,0|2,0,0]=4 1243 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,1,0,0,0,0|2,0,0]=4 1244 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|1,0,0]=3 1245 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|1,0,0]=3 1246 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|1,0,0]=3 1247 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,0]=3 1248 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,0]=3 1249 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 1250 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 1251 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|2,0,0]=4 1252 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|2,0,0]=4 1253 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|2,0,0]=4 1254 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|2,0,0]=4 1255 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 1256 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,1,0,0,0,0|2,0,0]=4 1257 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,1,0,0,0,0|2,0,0]=4 1258 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 1259 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,1,0,0,0,0|2,0,0]=4 1260 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 1261 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,1,0,0,0,0|1,0,1]=4 1262 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|1,0,0]=3 1263 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1264 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,1,0,0,0,0|2,0,0]=4 1265 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|2,0,0]=4 1267 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,1,0,0,0,0|2,0,0]=4 1268 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|2,0,0]=4 1269 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,1,0,0,0,0|2,0,0]=4 1270 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,1,0,0,0,0|1,0,1]=4 1271 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,1,0,0,0,0|1,0,1]=4 1272 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1273 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,1,0,0,0,0|2,0,0]=4 1274 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|2,0,0]=4 1275 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|2,0,0]=4 1277 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,1,0,0,0,0|2,0,0]=4 1278 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,1,0,0,0,0|2,0,0]=4 1279 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|2,0,0]=4 1280 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,1,0,0,0,0|2,0,0]=4 1281 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,1,0,0,0,0|2,0,0]=4 1282 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,1,0,0,0,0|1,0,1]=4 1283 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,1,0,0,0,0|1,0,1]=4 1284 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1285 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,1,0,0,0,0|2,0,0]=4 1286 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1287 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,1,0,0,0,0|2,0,0]=4 1288 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|1,0,0]=3 1289 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,1,0,0,0,0|1,0,1]=4 1290 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|2,0,0]=4 1291 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,1,0,0,0,0|2,0,0]=4 1292 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,1,0,0,0,0|2,0,0]=4 1293 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,1,0,0,0,0|1,0,1]=4 1294 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,1,0,0,0,0|1,0,1]=4 1295 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [1,1,0,0,0,0|1,0,1]=4 1296 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [1,1,0,0,0,0|1,0,1]=4 1297 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [1,1,0,0,0,0|1,0,1]=4 1298 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [1,1,0,0,0,0|1,0,1]=4 1299 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [1,1,0,0,0,0|1,0,1]=4 1300 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [1,1,0,0,0,0|1,0,1]=4 1301 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [1,1,0,0,0,0|1,0,1]=4 1302 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [1,1,0,0,0,0|1,0,1]=4 1303 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [1,1,0,0,0,0|1,0,1]=4 1304 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,1,0,0,0,0|1,0,0]=3 1305 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,1,0,0,0,0|1,0,0]=3 1306 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,1,0,0,0,0|1,0,0]=3 1307 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,1,0,0,0,0|1,0,0]=3 1308 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,1,0,0,0,0|1,0,0]=3 1309 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,1,0,0,0,0|1,0,0]=3 1310 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,1,0,0,0,0|1,0,0]=3 1311 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1312 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,1,0,0,0,0|2,0,0]=4 1313 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,1,0,0,0,0|2,0,0]=4 1314 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,1,0,0,0,0|2,0,0]=4 1315 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,1,0,0,0,0|2,0,0]=4 1316 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,1,0,0,0,0|2,0,0]=4 1317 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,1,0,0,0,0|2,0,0]=4 1318 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,1,0,0,0,0|2,0,0]=4 1319 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,1,0,0,0,0|2,0,0]=4 1320 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,1,0,0,0,0|2,0,0]=4 1321 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,1,0,0,0,0|2,0,0]=4 1322 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,1,0,0,0,0|2,0,0]=4 1323 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,1,0,0,0,0|2,0,0]=4 1324 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [1,1,0,0,0,0|2,0,0]=4 1325 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,1,0,0,0,0|2,0,0]=4 1326 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,1,0,0,0,0|2,0,0]=4 1327 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [1,1,0,0,0,0|2,0,0]=4 1328 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [1,1,0,0,0,0|2,0,0]=4 1329 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [1,1,0,0,0,0|1,0,1]=4 1330 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,1,0,0,0,0|2,0,0]=4 1331 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [1,1,0,0,0,0|2,0,0]=4 1332 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [1,1,0,0,0,0|2,0,0]=4 1333 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [1,1,0,0,0,0|2,0,0]=4 1334 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [1,1,0,0,0,0|2,0,0]=4 1335 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [1,1,0,0,0,0|2,0,0]=4 1336 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [1,1,0,0,0,0|1,0,1]=4 1337 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [1,1,0,0,0,0|2,0,0]=4 1338 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,1,0,0,0,0|2,0,0]=4 1339 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,1,0,0,0,0|2,0,0]=4 1340 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [1,1,0,0,0,0|2,0,0]=4 1341 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,1,0,0,0,0|1,0,0]=3 1342 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [1,1,0,0,0,0|2,0,0]=4 1343 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [1,1,0,0,0,0|1,0,1]=4 1344 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [1,1,0,0,0,0|1,0,1]=4 1345 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,1,0,0,0,0|2,0,0]=4 1346 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,1,0,0,0,0|2,0,0]=4 1347 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [1,1,0,0,0,0|2,0,0]=4 1348 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [1,1,0,0,0,0|2,0,0]=4 1349 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [1,1,0,0,0,0|2,0,0]=4 1350 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [1,1,0,0,0,0|2,0,0]=4 1351 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 1352 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [1,1,0,0,0,0|2,0,0]=4 1353 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [1,1,0,0,0,0|2,0,0]=4 1354 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,1,0,0,0,0|1,0,1]=4 1355 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 1356 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,1,0,0,0,0|1,0,1]=4 1357 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,1,0,0,0,0|1,0,1]=4 1358 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,1,0,0,0,0|1,0,1]=4 1359 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1360 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,1,0,0,0,0|1,0,1]=4 1361 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,1,0,0,0,0|1,0,1]=4 1362 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1363 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,1,0,0,0,0|1,0,1]=4 1364 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,1,0,0,0,0|1,0,1]=4 1365 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,1,0,0,0,0|1,0,1]=4 1366 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,1,0,0,0,0|1,0,0]=3 1367 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,1,0,0,0,0|1,0,1]=4 1368 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [1,1,0,0,0,0|1,0,1]=4 1369 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,1,0,0,0,0|1,0,0]=3 1370 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,1,0,0,0,0|1,0,0]=3 1371 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [1,1,0,0,0,0|1,0,1]=4 1372 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [1,1,0,0,0,0|1,0,1]=4 1373 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,1,0,0,0,0|1,0,1]=4 1374 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,1,0,0,0,0|1,0,1]=4 1375 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [1,1,0,0,0,0|1,0,1]=4 1376 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [1,1,0,0,0,0|1,0,1]=4 1377 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [1,1,0,0,0,0|1,0,1]=4 1378 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 1379 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [1,1,0,0,0,0|1,0,1]=4 1380 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,1,0,0,0,0|0,0,0]=2 1381 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,1,0,0,0,0|0,0,0]=2 1382 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 1383 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,1,0,0,0,0|1,0,1]=4 1384 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,1,0,0,0,0|1,0,1]=4 1385 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,1,0,0,0,0|0,0,1]=3 1386 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,1,0,0,0,0|0,0,1]=3 1387 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,1,0,0,0,0|0,0,1]=3 1388 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,1,0,0,0,0|0,0,1]=3 1389 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,1,0,0,0,0|0,0,1]=3 1390 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,1,0,0,0,0|2,0,0]=4 1391 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,1,0,0,0,0|2,0,0]=4 1392 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,1,0,0,0,0|2,0,0]=4 1393 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,1,0,0,0,0|2,0,0]=4 1394 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,1,0,0,0,0|2,0,0]=4 1395 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,1,0,0,0,0|2,0,0]=4 1396 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,1,0,0,0,0|2,0,0]=4 1397 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [1,1,0,0,0,0|1,0,1]=4 1398 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1400 B6R0.6 COCCCCF 34a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 1401 B6R0.6 COCCCCF 34a_100138415774_100000729493 [1,1,0,0,0,0|1,0,1]=4 1402 B6R0.6 COCCCCF 7a_100011995726_200000210301 [1,1,0,0,0,0|1,0,1]=4 1403 B6R0.6 COCCCCI 34a_200012148704_200000210301 [1,1,0,0,0,0|1,0,1]=4 1404 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,1,0,0,0,0|0,0,1]=3 1405 B6R0.6 COCCCCO 34a_100138415774_100011216708 [1,1,0,0,0,0|1,0,1]=4 1406 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,1,0,0,0,0|2,0,0]=4 1407 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,1,0,0,0,0|2,0,0]=4 1408 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,1,0,0,0,0|2,0,0]=4 1409 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,1,0,0,0,0|1,0,0]=3 1410 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,1,0,0,0,0|1,0,0]=3 1411 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [1,1,0,0,0,0|1,0,1]=4 1412 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [1,1,0,0,0,0|1,0,1]=4 1413 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,1,0,0,0,0|2,0,0]=4 1414 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [1,1,0,0,0,0|2,0,0]=4 1415 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,1,0,0,0,0|2,0,0]=4 1416 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,1,0,0,0,0|2,0,0]=4 1417 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [1,1,0,0,0,0|0,0,2]=4 1418 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [1,1,0,0,0,0|0,0,2]=4 1419 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,1,0,0,0,0|1,0,1]=4 1420 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,1,0,0,0,0|0,0,0]=2 1421 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,1,0,0,0,0|1,0,1]=4 1422 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,1,0,0,0,0|0,0,1]=3 1423 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,1,0,0,0,0|1,0,0]=3 1424 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,1,0,0,0,0|1,0,0]=3 1425 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,1,0,0,0,0|1,0,0]=3 1426 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,1,0,0,0,0|1,0,0]=3 1427 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [1,1,0,0,0,0|1,0,1]=4 1428 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,1,0,0,0,0|1,0,0]=3 1429 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,1,0,0,0,0|1,0,0]=3 1430 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,1,0,0,0,0|1,0,0]=3 1431 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,1,0,0,0,0|1,0,0]=3 1432 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [1,1,0,0,0,0|1,0,1]=4 1433 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [1,1,0,0,0,0|1,0,1]=4 1434 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [1,1,0,0,0,0|1,0,1]=4 1435 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [1,1,0,0,0,0|1,0,1]=4 1436 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [1,1,0,0,0,0|1,0,1]=4 1437 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [1,1,0,0,0,0|1,0,1]=4 1438 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [1,1,0,0,0,0|1,0,1]=4 1439 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [1,1,0,0,0,0|1,0,1]=4 1440 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [1,1,0,0,0,0|1,0,1]=4 1441 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [1,1,0,0,0,0|1,0,1]=4 1442 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [1,1,0,0,0,0|1,0,1]=4 1443 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,1,0,0,0,0|0,0,1]=3 1444 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,1,0,0,0,0|0,0,1]=3 1445 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [1,1,0,0,0,0|1,0,1]=4 1446 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1447 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1448 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 1449 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [1,1,0,0,0,0|1,0,1]=4 1450 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,1,0,0,0,0|0,0,1]=3 1452 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,1,0,0,0,0|1,0,0]=3 1453 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,1,0,0,0,0|1,0,0]=3 1454 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [1,1,0,0,0,0|1,0,1]=4 1455 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [1,1,0,0,0,0|1,0,1]=4 1456 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,2,0,0,0,0|1,0,1]=4 1461 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,2,0,0,0,0|1,0,1]=4 1462 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,2,0,0,0,0|2,0,0]=4 1464 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,2,0,0,0,0|2,0,0]=4 1465 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,2,0,0,0,0|1,0,1]=4 1466 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,2,0,0,0,0|1,0,1]=4 1467 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,2,0,0,0,0|1,0,1]=4 1468 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,2,0,0,0,0|2,0,0]=4 1470 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,2,0,0,0,0|2,0,0]=4 1472 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,2,0,0,0,0|2,0,0]=4 1473 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,2,0,0,0,0|1,0,1]=4 1474 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|2,0,0]=4 1477 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,2,0,0,0,0|2,0,0]=4 1481 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,2,0,0,0,0|2,0,0]=4 1482 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,2,0,0,0,0|1,0,0]=3 1485 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,2,0,0,0,0|1,0,1]=4 1486 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,2,0,0,0,0|2,0,0]=4 1488 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,2,0,0,0,0|2,0,0]=4 1489 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,2,0,0,0,0|0,0,2]=4 1491 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,2,0,0,0,0|1,0,1]=4 1492 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,2,0,0,0,0|1,0,0]=3 1494 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,2,0,0,0,0|1,0,0]=3 1498 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,2,0,0,0,0|1,0,1]=4 1500 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|0,0,0]=2 1501 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,2,0,0,0,0|2,0,0]=4 1502 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,2,0,0,0,0|2,0,0]=4 1503 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,2,0,0,0,0|2,0,0]=4 1504 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,2,0,0,0,0|2,0,0]=4 1505 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,2,0,0,0,0|2,0,0]=4 1506 B8R0.5 O=C([O-])CC(=O)CCO 1458a_100011216618_100020667443 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,2,0,0,0,0|1,0,0]=3 1508 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|0,0,0]=2 1509 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,2,0,0,0,0|2,0,0]=4 1511 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,2,0,0,0,0|2,0,0]=4 1512 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,2,0,0,0,0|1,0,0]=3 1513 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,2,0,0,0,0|1,0,0]=3 1514 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,2,0,0,0,0|1,0,0]=3 1515 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,2,0,0,0,0|1,0,0]=3 1516 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,2,0,0,0,0|2,0,0]=4 1517 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,2,0,0,0,0|2,0,0]=4 1518 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,2,0,0,0,0|2,0,0]=4 1519 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,2,0,0,0,0|1,0,1]=4 1525 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,2,0,0,0,0|1,0,1]=4 1526 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,2,0,0,0,0|1,0,1]=4 1527 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,2,0,0,0,0|2,0,0]=4 1529 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,2,0,0,0,0|2,0,0]=4 1531 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,2,0,0,0,0|2,0,0]=4 1533 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,2,0,0,0,0|2,0,0]=4 1534 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,2,0,0,0,0|1,0,0]=3 1535 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,2,0,0,0,0|2,0,0]=4 1536 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 1537 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,2,0,0,0,0|1,0,0]=3 1543 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 1544 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,2,0,0,0,0|2,0,0]=4 1545 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,2,0,0,0,0|2,0,0]=4 1547 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,2,0,0,0,0|1,0,0]=3 1549 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,2,0,0,0,0|2,0,0]=4 1552 B8R0.19 COC(=O)CC(=O)CF 1458a_100000211351_100015361967 [0,2,0,0,0,0|1,0,1]=4 1553 B8R0.19 COC(=O)CC(=O)CO 1458a_100000210174_100000747449 [0,2,0,0,0,0|1,0,1]=4 1554 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,2,0,0,0,0|2,0,0]=4 1556 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,2,0,0,0,0|2,0,0]=4 1557 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,2,0,0,0,0|2,0,0]=4 1558 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,2,0,0,0,0|2,0,0]=4 1559 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,2,0,0,0,0|1,0,0]=3 1560 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 1561 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,2,0,0,0,0|2,0,0]=4 1562 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 1563 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,2,0,0,0,0|2,0,0]=4 1565 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,2,0,0,0,0|2,0,0]=4 1567 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,2,0,0,0,0|2,0,0]=4 1568 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,2,0,0,0,0|2,0,0]=4 1569 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,2,0,0,0,0|2,0,0]=4 1570 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,2,0,0,0,0|2,0,0]=4 1571 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,2,0,0,0,0|2,0,0]=4 1572 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,2,0,0,0,0|2,0,0]=4 1573 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,2,0,0,0,0|2,0,0]=4 1574 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,2,0,0,0,0|2,0,0]=4 1575 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [0,2,0,0,0,0|2,0,0]=4 1576 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [0,2,0,0,0,0|2,0,0]=4 1577 B8R0.1 C#CCC(=O)CCCF 1458a_100011220946_100011934791 [0,2,0,0,0,0|2,0,0]=4 1578 B8R0.1 C#CCC(=O)CCCO 1458a_100011220946_100011215043 [0,2,0,0,0,0|2,0,0]=4 1579 B8R0.1 C#CCCC(=O)CCO 1458a_100000692101_100000211926 [0,2,0,0,0,0|1,0,1]=4 1580 B8R0.1 C#CCCC(=O)CCO 1458a_100011216618_100000753159 [0,2,0,0,0,0|1,0,1]=4 1581 B8R0.1 C#CCCC(=O)COC 1458a_100000210968_100000753159 [0,2,0,0,0,0|1,0,1]=4 1582 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [0,2,0,0,0,0|2,0,0]=4 1583 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [0,2,0,0,0,0|2,0,0]=4 1584 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [0,2,0,0,0,0|2,0,0]=4 1585 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [0,2,0,0,0,0|2,0,0]=4 1586 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [0,2,0,0,0,0|1,0,1]=4 1587 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [0,2,0,0,0,0|1,0,1]=4 1588 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [0,2,0,0,0,0|1,0,1]=4 1589 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [0,2,0,0,0,0|2,0,0]=4 1592 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [0,2,0,0,0,0|2,0,0]=4 1595 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [0,2,0,0,0,0|2,0,0]=4 1597 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [0,2,0,0,0,0|2,0,0]=4 1598 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [0,2,0,0,0,0|2,0,0]=4 1599 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [0,2,0,0,0,0|2,0,0]=4 1600 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [0,2,0,0,0,0|2,0,0]=4 1601 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [0,2,0,0,0,0|2,0,0]=4 1604 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [0,2,0,0,0,0|2,0,0]=4 1605 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [0,2,0,0,0,0|2,0,0]=4 1606 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [0,2,0,0,0,0|2,0,0]=4 1607 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [0,2,0,0,0,0|2,0,0]=4 1608 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [0,2,0,0,0,0|2,0,0]=4 1609 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [0,2,0,0,0,0|2,0,0]=4 1610 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [0,2,0,0,0,0|2,0,0]=4 1611 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [0,2,0,0,0,0|1,0,0]=3 1612 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [0,2,0,0,0,0|1,0,0]=3 1613 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [0,2,0,0,0,0|1,0,0]=3 1614 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [0,2,0,0,0,0|1,1,0]=4 1615 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [0,2,0,0,0,0|2,0,0]=4 1616 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [0,2,0,0,0,0|2,0,0]=4 1617 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [0,2,0,0,0,0|2,0,0]=4 1619 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [0,2,0,0,0,0|2,0,0]=4 1621 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [0,2,0,0,0,0|2,0,0]=4 1625 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [0,2,0,0,0,0|2,0,0]=4 1626 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [0,2,0,0,0,0|2,0,0]=4 1627 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [0,2,0,0,0,0|2,0,0]=4 1628 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [0,2,0,0,0,0|2,0,0]=4 1632 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [0,2,0,0,0,0|2,0,0]=4 1634 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [0,2,0,0,0,0|2,0,0]=4 1635 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [0,2,0,0,0,0|2,0,0]=4 1637 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [0,2,0,0,0,0|2,0,0]=4 1639 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [0,2,0,0,0,0|2,0,0]=4 1641 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.1 COCC(=O)CCC#N 1458a_100000210968_100011215226 [0,2,0,0,0,0|0,0,2]=4 1647 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [0,2,0,0,0,0|1,0,0]=3 1648 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [0,2,0,0,0,0|1,0,0]=3 1649 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [0,2,0,0,0,0|2,0,0]=4 1650 B8R0.1 COCC(=O)NCCF 11a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 1651 B8R0.1 COCC(=O)NCCF 1626a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 1652 B8R0.1 COCC(=O)NCCF 240690a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 1653 B8R0.1 COCC(=O)NCCF 527a_100000724931_100000210968 [0,2,0,0,0,0|2,0,0]=4 1654 B8R0.1 COCC(=O)NCCO 240690a_100000210304_100000210968 [0,2,0,0,0,0|2,0,0]=4 1655 B8R0.1 COCC(=O)NCCO 527a_100000210304_100000210968 [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [0,2,0,0,0,0|1,1,0]=4 1660 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [0,2,0,0,0,0|1,1,0]=4 1661 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [0,2,0,0,0,0|2,0,0]=4 1662 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [0,2,0,0,0,0|2,0,0]=4 1663 B8R0.1 N#CCC(=O)CCCF 1458a_100051588842_100011934791 [0,2,0,0,0,0|2,0,0]=4 1664 B8R0.1 N#CCC(=O)CCCO 1458a_100051588842_100011215043 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.1 N#CCCC(=O)CCO 1458a_100011216618_100011215226 [0,2,0,0,0,0|0,0,2]=4 1666 B8R0.1 N#CCCC(=O)CCO 1458a_100011934036_100000211926 [0,2,0,0,0,0|0,0,2]=4 1667 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [0,2,0,0,0,0|2,0,0]=4 1673 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [0,2,0,0,0,0|1,0,0]=3 1674 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [0,2,0,0,0,0|1,0,0]=3 1675 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|2,0,0]=4 1677 B8R0.1 O=C(CSCF)NCO 62a_100000185155_100015361967 [0,2,0,0,0,0|2,0,0]=4 1678 B8R0.1 O=C(CSCF)NCO 62a_100015361967_100000185155 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|2,0,0]=4 1683 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|0,0,2]=4 1684 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|1,0,0]=3 1685 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|2,0,0]=4 1686 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|2,0,0]=4 1689 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|1,0,0]=3 1690 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1697 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|2,0,0]=4 1700 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|2,0,0]=4 1701 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|2,0,0]=4 1702 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|2,0,0]=4 1703 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1705 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|2,0,0]=4 1706 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|2,0,0]=4 1707 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1708 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|2,0,0]=4 1709 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|2,0,0]=4 1711 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|2,0,0]=4 1712 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|2,0,0]=4 1713 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|2,0,0]=4 1714 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|2,0,0]=4 1715 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|2,0,0]=4 1716 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|2,0,0]=4 1717 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|2,0,0]=4 1718 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|2,0,0]=4 1719 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|2,0,0]=4 1721 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|2,0,0]=4 1722 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,2,0,0,0,0|1,0,1]=4 1725 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|1,0,0]=3 1738 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 1740 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 1741 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|2,0,0]=4 1742 B8R0.6 C#CCCNC(=O)CO 240690a_100000755551_100000210174 [0,2,0,0,0,0|1,0,1]=4 1743 B8R0.6 C#CCCNC(=O)CO 527a_100000755551_100000210174 [0,2,0,0,0,0|1,0,1]=4 1744 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [0,2,0,0,0,0|1,0,1]=4 1745 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [0,2,0,0,0,0|1,0,1]=4 1747 B8R0.6 C=C(C#N)COCCN 34a_100000210304_100000694840 [0,2,0,0,0,0|2,0,0]=4 1748 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,2,0,0,0,0|1,0,1]=4 1749 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|2,0,0]=4 1750 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,2,0,0,0,0|2,0,0]=4 1751 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|2,0,0]=4 1752 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [0,2,0,0,0,0|2,0,0]=4 1754 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [0,2,0,0,0,0|2,0,0]=4 1755 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [0,2,0,0,0,0|2,0,0]=4 1756 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [0,2,0,0,0,0|2,0,0]=4 1757 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [0,2,0,0,0,0|2,0,0]=4 1758 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [0,2,0,0,0,0|2,0,0]=4 1759 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [0,2,0,0,0,0|2,0,0]=4 1765 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,2,0,0,0,0|1,0,1]=4 1766 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|2,0,0]=4 1767 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|2,0,0]=4 1768 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|2,0,0]=4 1769 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|2,0,0]=4 1770 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|2,0,0]=4 1772 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 1773 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 1774 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|2,0,0]=4 1775 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|1,0,1]=4 1776 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|1,0,1]=4 1777 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,2,0,0,0,0|1,0,1]=4 1778 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|1,0,1]=4 1779 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,2,0,0,0,0|1,0,1]=4 1780 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,2,0,0,0,0|1,0,1]=4 1781 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,2,0,0,0,0|1,0,1]=4 1782 B8R0.6 CC(CO)OCCCN 34a_100000182051_100012180447 [0,2,0,0,0,0|1,0,1]=4 1783 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [0,2,0,0,0,0|1,0,1]=4 1784 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [0,2,0,0,0,0|1,0,1]=4 1785 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|1,0,1]=4 1786 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|1,0,1]=4 1787 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|2,0,0]=4 1788 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|2,0,0]=4 1789 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|2,0,0]=4 1790 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|2,0,0]=4 1792 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|2,0,0]=4 1793 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [0,2,0,0,0,0|2,0,0]=4 1796 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [0,2,0,0,0,0|2,0,0]=4 1797 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [0,2,0,0,0,0|2,0,0]=4 1798 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [0,2,0,0,0,0|2,0,0]=4 1799 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [0,2,0,0,0,0|2,0,0]=4 1800 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 1801 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 1802 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 1803 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [0,2,0,0,0,0|2,0,0]=4 1804 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [0,2,0,0,0,0|2,0,0]=4 1805 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [0,2,0,0,0,0|2,0,0]=4 1806 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [0,2,0,0,0,0|2,0,0]=4 1808 B8R0.6 CCC(O)COCCN 34a_100000210304_100011218378 [0,2,0,0,0,0|1,0,1]=4 1809 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|2,0,0]=4 1811 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|2,0,0]=4 1812 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|1,0,0]=3 1813 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [0,2,0,0,0,0|2,0,0]=4 1821 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [0,2,0,0,0,0|1,0,0]=3 1822 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [0,2,0,0,0,0|1,0,0]=3 1823 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [0,2,0,0,0,0|2,0,0]=4 1824 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [0,2,0,0,0,0|2,0,0]=4 1831 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [0,2,0,0,0,0|2,0,0]=4 1834 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [0,2,0,0,0,0|2,0,0]=4 1835 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [0,2,0,0,0,0|2,0,0]=4 1838 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [0,2,0,0,0,0|2,0,0]=4 1839 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [0,2,0,0,0,0|2,0,0]=4 1840 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [0,2,0,0,0,0|2,0,0]=4 1842 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [0,2,0,0,0,0|2,0,0]=4 1843 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [0,2,0,0,0,0|2,0,0]=4 1845 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [0,2,0,0,0,0|2,0,0]=4 1846 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [0,2,0,0,0,0|2,0,0]=4 1850 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [0,2,0,0,0,0|2,0,0]=4 1851 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [0,2,0,0,0,0|1,0,0]=3 1852 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [0,2,0,0,0,0|1,0,0]=3 1853 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [0,2,0,0,0,0|2,0,0]=4 1855 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [0,2,0,0,0,0|2,0,0]=4 1856 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [0,2,0,0,0,0|1,0,0]=3 1857 B8R0.6 CCOCCC(=NO)N 34a_100000749954_100000210202 [0,2,0,0,0,0|2,0,0]=4 1858 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [0,2,0,0,0,0|2,0,0]=4 1859 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [0,2,0,0,0,0|2,0,0]=4 1860 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 1864 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 1865 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [0,2,0,0,0,0|2,0,0]=4 1867 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [0,2,0,0,0,0|2,0,0]=4 1868 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [0,2,0,0,0,0|1,0,0]=3 1869 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [0,2,0,0,0,0|2,0,0]=4 1870 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [0,2,0,0,0,0|2,0,0]=4 1871 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [0,2,0,0,0,0|2,0,0]=4 1872 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [0,2,0,0,0,0|1,0,0]=3 1873 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [0,2,0,0,0,0|1,0,0]=3 1880 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [0,2,0,0,0,0|1,0,0]=3 1881 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|1,0,1]=4 1883 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 1884 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 1885 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 1886 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|2,0,0]=4 1887 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 1888 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|1,0,0]=3 1889 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 1891 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 1892 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|2,0,0]=4 1893 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 1898 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|2,0,0]=4 1900 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [0,2,0,0,0,0|1,0,0]=3 1914 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [0,2,0,0,0,0|2,0,0]=4 1915 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [0,2,0,0,0,0|2,0,0]=4 1916 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [0,2,0,0,0,0|2,0,0]=4 1920 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [0,2,0,0,0,0|2,0,0]=4 1921 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [0,2,0,0,0,0|2,0,0]=4 1922 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [0,2,0,0,0,0|2,0,0]=4 1923 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [0,2,0,0,0,0|2,0,0]=4 1924 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [0,2,0,0,0,0|2,0,0]=4 1925 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [0,2,0,0,0,0|2,0,0]=4 1926 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [0,2,0,0,0,0|2,0,0]=4 1927 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [0,2,0,0,0,0|2,0,0]=4 1928 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [0,2,0,0,0,0|2,0,0]=4 1929 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [0,2,0,0,0,0|2,0,0]=4 1932 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [0,2,0,0,0,0|0,0,2]=4 1933 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [0,2,0,0,0,0|0,0,2]=4 1934 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [0,2,0,0,0,0|0,0,2]=4 1935 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 1936 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 1937 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|1,0,0]=3 1938 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|1,0,0]=3 1940 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|0,0,0]=2 1941 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|0,0,0]=2 1942 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|0,0,0]=2 1943 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [0,2,0,0,0,0|2,0,0]=4 1944 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [0,2,0,0,0,0|2,0,0]=4 1945 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [0,2,0,0,0,0|2,0,0]=4 1946 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|1,0,0]=3 1947 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|1,0,0]=3 1948 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|1,0,0]=3 1949 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|1,0,0]=3 1950 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [0,2,0,0,0,0|1,0,0]=3 1951 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [0,2,0,0,0,0|1,0,0]=3 1952 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [0,2,0,0,0,0|1,0,0]=3 1953 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [0,2,0,0,0,0|1,0,0]=3 1955 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 1956 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [0,2,0,0,0,0|0,0,0]=2 1957 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [0,2,0,0,0,0|0,0,2]=4 1958 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [0,2,0,0,0,0|0,0,2]=4 1959 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|1,0,1]=4 1960 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|1,0,1]=4 1961 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [0,2,0,0,0,0|1,0,0]=3 1964 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [0,2,0,0,0,0|1,0,0]=3 1965 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [0,2,0,0,0,0|2,0,0]=4 1968 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [0,2,0,0,0,0|2,0,0]=4 1969 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [0,2,0,0,0,0|2,0,0]=4 1970 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|2,0,0]=4 1971 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|1,0,0]=3 1972 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,2,0,0,0,0|2,0,0]=4 1973 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|1,0,0]=3 1974 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [0,2,0,0,0,0|2,0,0]=4 1976 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [0,2,0,0,0,0|2,0,0]=4 1977 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [0,2,0,0,0,0|2,0,0]=4 1978 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [0,2,0,0,0,0|2,0,0]=4 1979 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [0,2,0,0,0,0|2,0,0]=4 1980 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|2,0,0]=4 1981 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 1982 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [0,2,0,0,0,0|2,0,0]=4 1983 B8R0.6 C[C@@H](CO)COCCN 34a_100000210304_100000059175 [0,2,0,0,0,0|1,0,1]=4 1984 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,2,0,0,0,0|1,0,1]=4 1985 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|0,0,1]=3 1986 B8R0.6 N#CCCNC(=O)CO 240690a_100000720768_100000210174 [0,2,0,0,0,0|0,0,2]=4 1987 B8R0.6 N#CCCNC(=O)CO 527a_100000720768_100000210174 [0,2,0,0,0,0|0,0,2]=4 1988 B8R0.6 NC(=NO)CCOCF 34a_100000749954_100015361967 [0,2,0,0,0,0|2,0,0]=4 1989 B8R0.6 NCCOCC(O)CO 34a_100000210304_100011219619 [0,2,0,0,0,0|0,0,2]=4 1990 B8R0.6 NCCOC[C@@H](O)CF 34a_100000210304_100015614560 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.6 NCCOC[C@@H](O)CO 34a_100000210304_100009815848 [0,2,0,0,0,0|0,0,2]=4 1992 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|2,0,0]=4 1993 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [0,2,0,0,0,0|2,0,0]=4 1994 B8R0.6 O=C(CO)CC#CCO 1458a_100000210174_200000047223 [0,2,0,0,0,0|1,0,1]=4 1995 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|1,0,0]=3 1996 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|1,0,0]=3 1997 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [0,2,0,0,0,0|1,0,0]=3 1998 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [0,2,0,0,0,0|1,0,0]=3 1999 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [0,2,0,0,0,0|1,0,0]=3 2000 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [0,2,0,0,0,0|1,0,0]=3 2001 B8R0.6 O=C(CO)NNCCO 22a_100000210001_100000210174 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,2,0,0,0,0|1,0,1]=4 2004 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,2,0,0,0,0|1,0,1]=4 2005 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,2,0,0,0,0|1,0,1]=4 2006 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|1,0,1]=4 2007 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,2,0,0,0,0|2,0,0]=4 2009 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,2,0,0,0,0|1,0,1]=4 2011 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,2,0,0,0,0|1,0,1]=4 2012 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,2,0,0,0,0|1,0,1]=4 2013 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|1,0,1]=4 2014 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,2,0,0,0,0|2,0,0]=4 2015 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,2,0,0,0,0|2,0,0]=4 2016 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|2,0,0]=4 2017 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|2,0,0]=4 2018 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|2,0,0]=4 2019 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|2,0,0]=4 2020 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|2,0,0]=4 2023 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,2,0,0,0,0|2,0,0]=4 2026 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,2,0,0,0,0|2,0,0]=4 2027 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|1,0,0]=3 2028 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|1,0,0]=3 2035 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,2,0,0,0,0|2,0,0]=4 2041 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,2,0,0,0,0|2,0,0]=4 2042 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 2044 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 2045 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,2,0,0,0,0|1,0,0]=3 2048 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,2,0,0,0,0|1,0,0]=3 2049 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|2,0,0]=4 2050 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|2,0,0]=4 2051 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|2,0,0]=4 2052 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|1,0,1]=4 2053 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|1,0,1]=4 2054 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 2055 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 2056 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 2057 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|2,0,0]=4 2058 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,2,0,0,0,0|2,0,0]=4 2059 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|1,0,0]=3 2063 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|2,0,0]=4 2065 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|2,0,0]=4 2066 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|2,0,0]=4 2068 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|1,0,1]=4 2069 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|1,0,1]=4 2070 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|2,0,0]=4 2071 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|2,0,0]=4 2072 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|2,0,0]=4 2073 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|2,0,0]=4 2074 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|2,0,0]=4 2075 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|2,0,0]=4 2076 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|2,0,0]=4 2077 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|2,0,0]=4 2078 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|1,0,1]=4 2079 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|1,0,1]=4 2080 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|1,0,0]=3 2081 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,0]=3 2082 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|2,0,0]=4 2084 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 2085 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,2,0,0,0,0|2,0,0]=4 2086 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,2,0,0,0,0|2,0,0]=4 2087 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,2,0,0,0,0|2,0,0]=4 2088 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|2,0,0]=4 2089 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,2,0,0,0,0|2,0,0]=4 2090 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,2,0,0,0,0|2,0,0]=4 2091 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,2,0,0,0,0|2,0,0]=4 2092 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|2,0,0]=4 2093 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|2,0,0]=4 2094 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|2,0,0]=4 2095 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 2096 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|2,0,0]=4 2097 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 2098 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|2,0,0]=4 2099 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,2,0,0,0,0|0,0,2]=4 2100 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,2,0,0,0,0|1,0,0]=3 2101 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,2,0,0,0,0|1,0,0]=3 2102 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,2,0,0,0,0|2,0,0]=4 2103 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,2,0,0,0,0|2,0,0]=4 2104 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|2,0,0]=4 2105 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|2,0,0]=4 2106 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|2,0,0]=4 2107 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|2,0,0]=4 2108 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|0,0,2]=4 2109 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|1,0,1]=4 2110 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|1,0,0]=3 2111 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|1,0,0]=3 2112 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,2,0,0,0,0|0,0,2]=4 2113 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,2,0,0,0,0|1,0,0]=3 2114 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,2,0,0,0,0|1,0,0]=3 2115 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 2116 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|1,0,1]=4 2119 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|1,0,1]=4 2120 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,2,0,0,0,0|0,0,2]=4 2121 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,2,0,0,0,0|2,0,0]=4 2122 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,2,0,0,0,0|2,0,0]=4 2123 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,2,0,0,0,0|2,0,0]=4 2124 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 2125 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,2,0,0,0,0|2,0,0]=4 2126 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,2,0,0,0,0|2,0,0]=4 2127 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 2128 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,2,0,0,0,0|2,0,0]=4 2129 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 2130 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,2,0,0,0,0|1,0,0]=3 2131 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,2,0,0,0,0|0,0,1]=3 2132 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,2,0,0,0,0|1,0,0]=3 2133 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,2,0,0,0,0|1,0,0]=3 2134 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,2,0,0,0,0|2,0,0]=4 2135 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,2,0,0,0,0|2,0,0]=4 2136 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,0]=3 2137 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,2,0,0,0,0|1,0,1]=4 2138 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,2,0,0,0,0|1,0,1]=4 2139 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,2,0,0,0,0|1,0,1]=4 2140 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,2,0,0,0,0|1,0,1]=4 2141 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,2,0,0,0,0|1,0,1]=4 2142 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,2,0,0,0,0|1,0,1]=4 2143 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,2,0,0,0,0|1,0,1]=4 2144 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,2,0,0,0,0|2,0,0]=4 2145 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,2,0,0,0,0|2,0,0]=4 2146 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,2,0,0,0,0|1,0,1]=4 2147 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [0,2,0,0,0,0|1,0,1]=4 2148 B8R0.9 C=C(C)CCC(C)NC 270004a_106832991635_100011215600 [0,2,0,0,0,0|2,0,0]=4 2149 B8R0.9 C=C(C)COC(C)CN 34a_100000210904_100000748629 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.9 C=C(F)COC(C)CN 34a_100000210904_100009893438 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,2,0,0,0,0|1,0,1]=4 2154 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.9 CC(=O)NC[C@@H](F)CO 240690a_100015665980_100015343762 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.9 CC(=O)NC[C@@H](F)CO 527a_100015665980_100103153847 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.9 CC(=O)NC[C@H](O)CO 240690a_100020644852_100015343762 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.9 CC(=O)NC[C@H](O)CO 527a_100020644852_100103153847 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,2,0,0,0,0|0,0,2]=4 2162 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,2,0,0,0,0|2,0,0]=4 2163 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,2,0,0,0,0|1,0,0]=3 2164 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 2165 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,2,0,0,0,0|2,0,0]=4 2166 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,2,0,0,0,0|2,0,0]=4 2167 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,2,0,0,0,0|2,0,0]=4 2168 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,2,0,0,0,0|1,0,1]=4 2169 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|1,0,0]=3 2170 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|0,0,1]=3 2171 B8R0.9 CC(CN)OC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|1,0,1]=4 2172 B8R0.9 CC(CN)OC[N+](=O)[O-] 34a_100000210904_100000761209 [0,2,0,0,0,0|1,0,1]=4 2173 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,2,0,0,0,0|1,0,1]=4 2176 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 2178 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,2,0,0,0,0|2,0,0]=4 2179 B8R0.9 CC(O)COC(C)CN 34a_100000210904_100011218427 [0,2,0,0,0,0|1,0,1]=4 2180 B8R0.9 CCC(=O)CCC(=O)N 1458a_100011215257_100000210202 [0,2,0,0,0,0|1,0,1]=4 2181 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,2,0,0,0,0|2,0,0]=4 2182 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,2,0,0,0,0|2,0,0]=4 2183 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,2,0,0,0,0|2,0,0]=4 2184 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|2,0,0]=4 2185 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|2,0,0]=4 2186 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,2,0,0,0,0|2,0,0]=4 2187 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,2,0,0,0,0|2,0,0]=4 2188 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,2,0,0,0,0|2,0,0]=4 2189 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,2,0,0,0,0|2,0,0]=4 2190 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,2,0,0,0,0|2,0,0]=4 2191 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,2,0,0,0,0|2,0,0]=4 2192 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,2,0,0,0,0|1,0,0]=3 2193 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,2,0,0,0,0|2,0,0]=4 2194 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,2,0,0,0,0|2,0,0]=4 2195 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,2,0,0,0,0|2,0,0]=4 2196 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,2,0,0,0,0|2,0,0]=4 2197 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,2,0,0,0,0|1,0,1]=4 2198 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,2,0,0,0,0|1,0,1]=4 2199 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,2,0,0,0,0|2,0,0]=4 2200 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,2,0,0,0,0|2,0,0]=4 2201 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,2,0,0,0,0|2,0,0]=4 2202 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,2,0,0,0,0|2,0,0]=4 2203 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,2,0,0,0,0|2,0,0]=4 2204 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,2,0,0,0,0|2,0,0]=4 2205 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,2,0,0,0,0|2,0,0]=4 2206 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,2,0,0,0,0|2,0,0]=4 2207 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,2,0,0,0,0|2,0,0]=4 2208 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,2,0,0,0,0|2,0,0]=4 2209 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,2,0,0,0,0|2,0,0]=4 2210 B8R0.9 CCS(=O)CCC(=O)C 1458a_100011387550_200000210301 [0,2,0,0,0,0|2,0,0]=4 2211 B8R0.9 CCS(=O)CCC(=O)[13CH3] 1458a_100011387550_200025704644 [0,2,0,0,0,0|2,0,0]=4 2212 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,2,0,0,0,0|1,0,1]=4 2213 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 2214 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,2,0,0,0,0|1,0,1]=4 2215 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,2,0,0,0,0|1,0,1]=4 2216 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,2,0,0,0,0|2,0,0]=4 2217 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 2218 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 2219 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,2,0,0,0,0|2,0,0]=4 2220 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,2,0,0,0,0|2,0,0]=4 2221 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,2,0,0,0,0|2,0,0]=4 2222 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,2,0,0,0,0|1,0,1]=4 2223 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,2,0,0,0,0|1,0,1]=4 2224 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,2,0,0,0,0|2,0,0]=4 2225 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,2,0,0,0,0|2,0,0]=4 2226 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,2,0,0,0,0|2,0,0]=4 2227 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,2,0,0,0,0|2,0,0]=4 2228 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,2,0,0,0,0|2,0,0]=4 2229 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,2,0,0,0,0|2,0,0]=4 2230 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,2,0,0,0,0|2,0,0]=4 2231 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,2,0,0,0,0|2,0,0]=4 2232 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,2,0,0,0,0|2,0,0]=4 2233 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,2,0,0,0,0|2,0,0]=4 2234 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,2,0,0,0,0|2,0,0]=4 2235 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,2,0,0,0,0|1,0,0]=3 2236 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,2,0,0,0,0|2,0,0]=4 2237 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,2,0,0,0,0|2,0,0]=4 2238 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,2,0,0,0,0|1,0,1]=4 2239 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,2,0,0,0,0|1,0,1]=4 2240 B8R0.9 NC(=O)CCC(=O)CF 1458a_100011215257_100015361967 [0,2,0,0,0,0|1,0,1]=4 2241 B8R0.9 NC(=O)CNC(=O)CO 240690a_100000711301_100000210174 [0,2,0,0,0,0|1,0,1]=4 2242 B8R0.9 NC(=O)CNC(=O)CO 527a_100000711301_100000210174 [0,2,0,0,0,0|1,0,1]=4 2243 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 2244 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,2,0,0,0,0|2,0,0]=4 2245 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,2,0,0,0,0|2,0,0]=4 2246 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,2,0,0,0,0|2,0,0]=4 2247 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,2,0,0,0,0|2,0,0]=4 2248 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,2,0,0,0,0|2,0,0]=4 2249 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,2,0,0,0,0|2,0,0]=4 2250 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,2,0,0,0,0|2,0,0]=4 2251 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,2,0,0,0,0|2,0,0]=4 2252 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,2,0,0,0,0|2,0,0]=4 2253 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,2,0,0,0,0|2,0,0]=4 2254 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,2,0,0,0,0|1,0,0]=3 2255 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,2,0,0,0,0|1,0,1]=4 2256 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,2,0,0,0,0|2,0,0]=4 2257 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,2,0,0,0,0|2,0,0]=4 2258 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,2,0,0,0,0|1,0,1]=4 2259 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,2,0,0,0,0|2,0,0]=4 2260 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,2,0,0,0,0|2,0,0]=4 2261 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,2,0,0,0,0|1,0,1]=4 2262 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,2,0,0,0,0|1,0,1]=4 2263 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,2,0,0,0,0|2,0,0]=4 2264 B8R0.7 C#CCNOCC(=O)O 269956a_100000106656_100000184674 [0,2,0,0,0,0|1,0,1]=4 2265 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,2,0,0,0,0|2,0,0]=4 2266 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,2,0,0,0,0|2,0,0]=4 2267 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,2,0,0,0,0|2,0,0]=4 2268 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,2,0,0,0,0|2,0,0]=4 2269 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,2,0,0,0,0|2,0,0]=4 2270 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,2,0,0,0,0|2,0,0]=4 2271 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,2,0,0,0,0|2,0,0]=4 2272 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,2,0,0,0,0|2,0,0]=4 2273 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,2,0,0,0,0|2,0,0]=4 2274 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,2,0,0,0,0|2,0,0]=4 2275 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,2,0,0,0,0|1,0,1]=4 2276 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,2,0,0,0,0|2,0,0]=4 2277 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,2,0,0,0,0|2,0,0]=4 2278 B8R0.7 C=C(C)COCCON 34a_100000700252_100000748629 [0,2,0,0,0,0|2,0,0]=4 2279 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,2,0,0,0,0|2,0,0]=4 2280 B8R0.7 C=C(F)COCCON 34a_100000700252_100009893438 [0,2,0,0,0,0|2,0,0]=4 2281 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,2,0,0,0,0|2,0,0]=4 2282 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,2,0,0,0,0|2,0,0]=4 2283 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,2,0,0,0,0|2,0,0]=4 2284 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,2,0,0,0,0|2,0,0]=4 2285 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,2,0,0,0,0|2,0,0]=4 2286 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,2,0,0,0,0|2,0,0]=4 2287 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,2,0,0,0,0|2,0,0]=4 2288 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,2,0,0,0,0|2,0,0]=4 2289 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,2,0,0,0,0|2,0,0]=4 2290 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,2,0,0,0,0|1,0,0]=3 2291 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,2,0,0,0,0|2,0,0]=4 2292 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,2,0,0,0,0|2,0,0]=4 2293 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,2,0,0,0,0|1,0,1]=4 2294 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,2,0,0,0,0|2,0,0]=4 2295 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,2,0,0,0,0|2,0,0]=4 2296 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,2,0,0,0,0|1,0,1]=4 2297 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,2,0,0,0,0|1,0,1]=4 2298 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,2,0,0,0,0|2,0,0]=4 2299 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,2,0,0,0,0|1,0,1]=4 2300 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,2,0,0,0,0|2,0,0]=4 2301 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,2,0,0,0,0|2,0,0]=4 2302 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,2,0,0,0,0|2,0,0]=4 2303 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,2,0,0,0,0|2,0,0]=4 2304 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,2,0,0,0,0|2,0,0]=4 2305 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,2,0,0,0,0|2,0,0]=4 2306 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,2,0,0,0,0|2,0,0]=4 2307 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,2,0,0,0,0|2,0,0]=4 2308 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,2,0,0,0,0|2,0,0]=4 2309 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,2,0,0,0,0|2,0,0]=4 2310 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,2,0,0,0,0|2,0,0]=4 2311 B8R0.7 CC#CCNCC(=O)O 269956a_100016091260_100000748600 [0,2,0,0,0,0|1,0,1]=4 2312 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [0,2,0,0,0,0|2,0,0]=4 2313 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,2,0,0,0,0|1,0,1]=4 2314 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,2,0,0,0,0|2,0,0]=4 2315 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|2,0,0]=4 2316 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|2,0,0]=4 2317 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|2,0,0]=4 2318 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|2,0,0]=4 2319 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,2,0,0,0,0|1,0,1]=4 2320 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,2,0,0,0,0|2,0,0]=4 2321 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,2,0,0,0,0|2,0,0]=4 2322 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,2,0,0,0,0|2,0,0]=4 2323 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,2,0,0,0,0|2,0,0]=4 2324 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,2,0,0,0,0|1,0,1]=4 2325 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,2,0,0,0,0|1,0,1]=4 2326 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,2,0,0,0,0|2,0,0]=4 2327 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,2,0,0,0,0|2,0,0]=4 2328 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,2,0,0,0,0|2,0,0]=4 2329 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,2,0,0,0,0|2,0,0]=4 2330 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|2,0,0]=4 2331 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|2,0,0]=4 2332 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|2,0,0]=4 2333 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|2,0,0]=4 2334 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,2,0,0,0,0|1,0,1]=4 2335 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,2,0,0,0,0|1,0,1]=4 2336 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,2,0,0,0,0|2,0,0]=4 2337 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,2,0,0,0,0|2,0,0]=4 2338 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,2,0,0,0,0|2,0,0]=4 2339 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,2,0,0,0,0|2,0,0]=4 2340 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|2,0,0]=4 2341 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|2,0,0]=4 2342 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,2,0,0,0,0|2,0,0]=4 2343 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,2,0,0,0,0|2,0,0]=4 2344 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,2,0,0,0,0|2,0,0]=4 2345 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,2,0,0,0,0|2,0,0]=4 2346 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,2,0,0,0,0|1,0,0]=3 2347 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,2,0,0,0,0|2,0,0]=4 2348 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,2,0,0,0,0|2,0,0]=4 2349 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,2,0,0,0,0|2,0,0]=4 2350 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,2,0,0,0,0|2,0,0]=4 2351 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,2,0,0,0,0|2,0,0]=4 2352 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,2,0,0,0,0|2,0,0]=4 2353 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [0,2,0,0,0,0|2,0,0]=4 2354 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [0,2,0,0,0,0|2,0,0]=4 2355 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [0,2,0,0,0,0|2,0,0]=4 2356 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [0,2,0,0,0,0|2,0,0]=4 2357 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [0,2,0,0,0,0|2,0,0]=4 2358 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,2,0,0,0,0|1,0,0]=3 2359 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [0,2,0,0,0,0|2,0,0]=4 2360 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [0,2,0,0,0,0|2,0,0]=4 2361 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [0,2,0,0,0,0|2,0,0]=4 2362 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [0,2,0,0,0,0|2,0,0]=4 2363 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,2,0,0,0,0|2,0,0]=4 2364 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,2,0,0,0,0|2,0,0]=4 2365 B8R0.7 CC(O)CCOCCN 34a_100000210304_100012276601 [0,2,0,0,0,0|1,0,1]=4 2366 B8R0.7 CC(O)COCCCN 34a_100000182051_100011218427 [0,2,0,0,0,0|1,0,1]=4 2367 B8R0.7 CC(O)COCCON 34a_100000700252_100011218427 [0,2,0,0,0,0|1,0,1]=4 2368 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,2,0,0,0,0|2,0,0]=4 2369 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [0,2,0,0,0,0|2,0,0]=4 2370 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [0,2,0,0,0,0|2,0,0]=4 2371 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,2,0,0,0,0|2,0,0]=4 2372 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,2,0,0,0,0|2,0,0]=4 2373 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,2,0,0,0,0|2,0,0]=4 2374 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,2,0,0,0,0|2,0,0]=4 2375 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,2,0,0,0,0|2,0,0]=4 2376 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,2,0,0,0,0|2,0,0]=4 2377 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,2,0,0,0,0|2,0,0]=4 2378 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,2,0,0,0,0|2,0,0]=4 2379 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,2,0,0,0,0|2,0,0]=4 2380 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,2,0,0,0,0|2,0,0]=4 2381 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,2,0,0,0,0|2,0,0]=4 2382 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,2,0,0,0,0|2,0,0]=4 2383 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|1,0,0]=3 2384 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,2,0,0,0,0|2,0,0]=4 2385 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,2,0,0,0,0|2,0,0]=4 2386 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,2,0,0,0,0|2,0,0]=4 2387 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,2,0,0,0,0|2,0,0]=4 2388 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,2,0,0,0,0|2,0,0]=4 2389 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,2,0,0,0,0|2,0,0]=4 2390 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,2,0,0,0,0|2,0,0]=4 2391 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,2,0,0,0,0|1,0,1]=4 2392 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|2,0,0]=4 2393 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,2,0,0,0,0|2,0,0]=4 2394 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,2,0,0,0,0|2,0,0]=4 2395 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|2,0,0]=4 2396 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,2,0,0,0,0|1,0,1]=4 2397 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,2,0,0,0,0|1,0,1]=4 2398 B8R0.7 CCCNOCC(=O)O 269956a_100000106656_100000210207 [0,2,0,0,0,0|1,0,0]=3 2399 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,2,0,0,0,0|2,0,0]=4 2400 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,2,0,0,0,0|2,0,0]=4 2401 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,2,0,0,0,0|2,0,0]=4 2402 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,2,0,0,0,0|2,0,0]=4 2403 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,2,0,0,0,0|2,0,0]=4 2404 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,2,0,0,0,0|2,0,0]=4 2405 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,2,0,0,0,0|2,0,0]=4 2406 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|2,0,0]=4 2407 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|2,0,0]=4 2408 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,2,0,0,0,0|2,0,0]=4 2409 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,2,0,0,0,0|2,0,0]=4 2410 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,2,0,0,0,0|2,0,0]=4 2411 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,2,0,0,0,0|2,0,0]=4 2412 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,2,0,0,0,0|1,0,0]=3 2413 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,2,0,0,0,0|1,0,1]=4 2414 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [0,2,0,0,0,0|2,0,0]=4 2415 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,2,0,0,0,0|2,0,0]=4 2416 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,2,0,0,0,0|2,0,0]=4 2417 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,2,0,0,0,0|2,0,0]=4 2418 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,2,0,0,0,0|2,0,0]=4 2419 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,2,0,0,0,0|2,0,0]=4 2420 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,2,0,0,0,0|2,0,0]=4 2421 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,2,0,0,0,0|2,0,0]=4 2422 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,2,0,0,0,0|2,0,0]=4 2423 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,2,0,0,0,0|2,0,0]=4 2424 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,2,0,0,0,0|2,0,0]=4 2425 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,2,0,0,0,0|2,0,0]=4 2426 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,2,0,0,0,0|2,0,0]=4 2427 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,2,0,0,0,0|2,0,0]=4 2428 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,2,0,0,0,0|2,0,0]=4 2429 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,2,0,0,0,0|2,0,0]=4 2430 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,2,0,0,0,0|2,0,0]=4 2431 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,2,0,0,0,0|2,0,0]=4 2432 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,2,0,0,0,0|2,0,0]=4 2433 B8R0.7 CCOCNCC(=O)O 269956a_100016091260_100000739092 [0,2,0,0,0,0|1,0,0]=3 2434 B8R0.7 CCOCSCC(=O)N 62a_100000739092_100000747473 [0,2,0,0,0,0|2,0,0]=4 2435 B8R0.7 CCOCSCC(=O)N 62a_100000747473_100000739092 [0,2,0,0,0,0|2,0,0]=4 2436 B8R0.7 CCOCSCC(=O)[O-] 62a_100000739092_100020667443 [0,2,0,0,0,0|1,0,1]=4 2437 B8R0.7 CCOCSCC(=O)[O-] 62a_100020667443_100000739092 [0,2,0,0,0,0|1,0,1]=4 2438 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|2,0,0]=4 2439 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|2,0,0]=4 2440 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,2,0,0,0,0|2,0,0]=4 2441 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,2,0,0,0,0|2,0,0]=4 2442 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,2,0,0,0,0|2,0,0]=4 2443 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,2,0,0,0,0|2,0,0]=4 2444 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,2,0,0,0,0|2,0,0]=4 2445 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,2,0,0,0,0|2,0,0]=4 2446 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,2,0,0,0,0|2,0,0]=4 2447 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,2,0,0,0,0|2,0,0]=4 2448 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,2,0,0,0,0|2,0,0]=4 2449 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,2,0,0,0,0|2,0,0]=4 2450 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,2,0,0,0,0|2,0,0]=4 2451 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,2,0,0,0,0|2,0,0]=4 2452 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,2,0,0,0,0|2,0,0]=4 2453 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,2,0,0,0,0|2,0,0]=4 2454 B8R0.7 CNCCCCB(O)O 2230a_106832991635_200009817182 [0,2,0,0,0,0|1,0,1]=4 2455 B8R0.7 CNCCCCB(O)O 34a_100102657272_200009817182 [0,2,0,0,0,0|1,0,1]=4 2456 B8R0.7 CNCCCCB(O)O 7a_106832991635_200009817182 [0,2,0,0,0,0|1,0,1]=4 2457 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,2,0,0,0,0|1,0,0]=3 2458 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,2,0,0,0,0|1,0,0]=3 2459 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,2,0,0,0,0|1,0,0]=3 2460 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,2,0,0,0,0|1,0,0]=3 2461 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,2,0,0,0,0|1,0,0]=3 2462 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,2,0,0,0,0|1,0,0]=3 2463 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [0,2,0,0,0,0|1,1,0]=4 2464 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [0,2,0,0,0,0|1,1,0]=4 2465 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [0,2,0,0,0,0|1,1,0]=4 2466 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,2,0,0,0,0|1,0,0]=3 2467 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,2,0,0,0,0|1,0,0]=3 2468 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,2,0,0,0,0|1,0,0]=3 2469 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,2,0,0,0,0|1,0,0]=3 2470 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,2,0,0,0,0|1,0,0]=3 2471 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,2,0,0,0,0|1,0,0]=3 2472 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|0,0,0]=2 2473 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,2,0,0,0,0|2,0,0]=4 2474 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,2,0,0,0,0|2,0,0]=4 2475 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,2,0,0,0,0|2,0,0]=4 2476 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,2,0,0,0,0|2,0,0]=4 2477 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,2,0,0,0,0|2,0,0]=4 2478 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,2,0,0,0,0|2,0,0]=4 2479 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,2,0,0,0,0|2,0,0]=4 2480 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,2,0,0,0,0|2,0,0]=4 2481 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,2,0,0,0,0|2,0,0]=4 2482 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,2,0,0,0,0|2,0,0]=4 2483 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,2,0,0,0,0|2,0,0]=4 2484 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,2,0,0,0,0|2,0,0]=4 2485 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|1,0,0]=3 2486 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,2,0,0,0,0|2,0,0]=4 2487 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,2,0,0,0,0|2,0,0]=4 2488 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,2,0,0,0,0|2,0,0]=4 2489 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,2,0,0,0,0|2,0,0]=4 2490 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,2,0,0,0,0|2,0,0]=4 2491 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,2,0,0,0,0|1,0,1]=4 2492 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,2,0,0,0,0|2,0,0]=4 2493 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,2,0,0,0,0|2,0,0]=4 2494 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,2,0,0,0,0|1,0,1]=4 2495 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,2,0,0,0,0|1,0,1]=4 2496 B8R0.7 COCNOCC(=O)O 269956a_100000106656_100000766300 [0,2,0,0,0,0|2,0,0]=4 2497 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|2,0,0]=4 2498 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|2,0,0]=4 2499 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,2,0,0,0,0|2,0,0]=4 2500 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,2,0,0,0,0|2,0,0]=4 2501 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|2,0,0]=4 2502 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|2,0,0]=4 2503 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 2504 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 2505 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 2506 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,2,0,0,0,0|2,0,0]=4 2507 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,2,0,0,0,0|2,0,0]=4 2508 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,2,0,0,0,0|2,0,0]=4 2509 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,2,0,0,0,0|2,0,0]=4 2510 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,2,0,0,0,0|2,0,0]=4 2511 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,2,0,0,0,0|2,0,0]=4 2512 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,2,0,0,0,0|2,0,0]=4 2513 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|1,0,0]=3 2514 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,2,0,0,0,0|2,0,0]=4 2515 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,2,0,0,0,0|2,0,0]=4 2516 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,2,0,0,0,0|2,0,0]=4 2517 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,2,0,0,0,0|2,0,0]=4 2518 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,2,0,0,0,0|2,0,0]=4 2519 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,2,0,0,0,0|1,0,1]=4 2520 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,2,0,0,0,0|2,0,0]=4 2521 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,2,0,0,0,0|2,0,0]=4 2522 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,2,0,0,0,0|1,0,1]=4 2523 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,2,0,0,0,0|1,0,1]=4 2524 B8R0.7 CSCNOCC(=O)O 269956a_100000106656_100011218213 [0,2,0,0,0,0|2,0,0]=4 2525 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,2,0,0,0,0|2,0,0]=4 2526 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,2,0,0,0,0|2,0,0]=4 2527 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,2,0,0,0,0|2,0,0]=4 2528 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,2,0,0,0,0|2,0,0]=4 2529 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,2,0,0,0,0|2,0,0]=4 2530 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,2,0,0,0,0|2,0,0]=4 2531 B8R0.7 C[C@@H](O)COCCCN 34a_100000182051_100009817552 [0,2,0,0,0,0|1,0,1]=4 2532 B8R0.7 C[C@@H](O)COCCON 34a_100000700252_100009817552 [0,2,0,0,0,0|1,0,1]=4 2533 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,2,0,0,0,0|1,0,1]=4 2534 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,2,0,0,0,0|0,0,1]=3 2535 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,2,0,0,0,0|1,0,1]=4 2536 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,2,0,0,0,0|1,0,1]=4 2537 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,2,0,0,0,0|0,0,2]=4 2538 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,2,0,0,0,0|0,0,2]=4 2539 B8R0.7 N#CCNOCC(=O)O 269956a_100000106656_100011215382 [0,2,0,0,0,0|0,0,2]=4 2540 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,2,0,0,0,0|1,0,1]=4 2541 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,2,0,0,0,0|1,0,1]=4 2542 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,2,0,0,0,0|1,0,1]=4 2543 B8R0.7 N#CSCNCC(=O)O 269956a_100016091260_100000211825 [0,2,0,0,0,0|0,0,2]=4 2544 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,2,0,0,0,0|1,0,0]=3 2545 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,2,0,0,0,0|2,0,0]=4 2546 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,2,0,0,0,0|2,0,0]=4 2547 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|2,0,0]=4 2548 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|2,0,0]=4 2549 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|2,0,0]=4 2550 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,2,0,0,0,0|2,0,0]=4 2551 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,2,0,0,0,0|2,0,0]=4 2555 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|2,0,0]=4 2556 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|2,0,0]=4 2557 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,2,0,0,0,0|2,0,0]=4 2558 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,2,0,0,0,0|2,0,0]=4 2559 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,2,0,0,0,0|2,0,0]=4 2560 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,2,0,0,0,0|2,0,0]=4 2561 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|2,0,0]=4 2562 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|2,0,0]=4 2563 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,2,0,0,0,0|2,0,0]=4 2564 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,2,0,0,0,0|2,0,0]=4 2565 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,2,0,0,0,0|2,0,0]=4 2566 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|2,0,0]=4 2567 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,2,0,0,0,0|2,0,0]=4 2568 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,2,0,0,0,0|2,0,0]=4 2569 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,2,0,0,0,0|2,0,0]=4 2570 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,2,0,0,0,0|2,0,0]=4 2571 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,2,0,0,0,0|2,0,0]=4 2574 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,2,0,0,0,0|2,0,0]=4 2575 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,2,0,0,0,0|2,0,0]=4 2576 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,2,0,0,0,0|2,0,0]=4 2577 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,2,0,0,0,0|2,0,0]=4 2578 B8R0.7 NC(=O)OCCOCF 7a_100000766696_100015361967 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.7 NC(=O)OCCSCF 62a_100015361967_200011214921 [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.7 NC(=O)OCCSCF 62a_200011214921_100015361967 [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,2,0,0,0,0|1,0,0]=3 2582 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,2,0,0,0,0|0,0,1]=3 2583 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,2,0,0,0,0|1,0,1]=4 2584 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,2,0,0,0,0|1,0,0]=3 2585 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,2,0,0,0,0|1,0,0]=3 2586 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,2,0,0,0,0|0,0,1]=3 2587 B8R0.7 NOCCOC[N+](=O)[O-] 34a_100000700252_100000761209 [0,2,0,0,0,0|1,0,1]=4 2588 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|1,0,0]=3 2589 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|1,0,0]=3 2590 B8R0.7 O=C(O)CONCCF 269956a_100000106656_100011217306 [0,2,0,0,0,0|1,0,0]=3 2591 B8R0.7 O=C(O)CONCCO 269956a_100000106656_100000211926 [0,2,0,0,0,0|1,0,0]=3 2592 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,2,0,0,0,0|1,0,1]=4 2594 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,2,0,0,0,0|1,0,1]=4 2595 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,2,0,0,0,0|1,0,1]=4 2596 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,2,0,0,0,0|1,0,1]=4 2597 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,2,0,0,0,0|1,0,1]=4 2598 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,2,0,0,0,0|1,0,1]=4 2599 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,2,0,0,0,0|1,0,1]=4 2600 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,2,0,0,0,0|1,0,1]=4 2601 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|2,0,0]=4 2602 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,2,0,0,0,0|1,0,1]=4 2603 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|2,0,0]=4 2604 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,2,0,0,0,0|1,0,0]=3 2605 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|0,0,0]=2 2606 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,2,0,0,0,0|2,0,0]=4 2608 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,2,0,0,0,0|2,0,0]=4 2609 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,2,0,0,0,0|2,0,0]=4 2610 B8R0.21 CC(C)(O)COCCN 34a_100000210304_100000764493 [0,2,0,0,0,0|1,0,1]=4 2611 B8R0.21 CNCCCC(C)(C)O 2230a_106832991635_100009888830 [0,2,0,0,0,0|1,0,1]=4 2612 B8R0.21 CNCCCC(C)(C)O 34a_100102657272_100009888830 [0,2,0,0,0,0|1,0,1]=4 2613 B8R0.21 CNCCCC(C)(C)O 7a_106832991635_100009888830 [0,2,0,0,0,0|1,0,1]=4 2614 B8R0.21 CNCCCS(=O)(=O)C 2230a_100000742409_200000210301 [0,2,0,0,0,0|1,0,1]=4 2615 B8R0.21 CNCCCS(=O)(=O)C 2230a_106832991635_100000754308 [0,2,0,0,0,0|1,0,1]=4 2616 B8R0.21 CNCCCS(=O)(=O)C 34a_100000742409_200000210301 [0,2,0,0,0,0|1,0,1]=4 2617 B8R0.21 CNCCCS(=O)(=O)C 34a_100102657272_100000754308 [0,2,0,0,0,0|1,0,1]=4 2618 B8R0.21 CNCCCS(=O)(=O)C 7a_106832991635_100000754308 [0,2,0,0,0,0|1,0,1]=4 2619 B8R0.21 CNCCCS(=O)(=O)N 2230a_106832991635_100000750626 [0,2,0,0,0,0|1,0,1]=4 2620 B8R0.21 CNCCCS(=O)(=O)N 34a_100102657272_100000750626 [0,2,0,0,0,0|1,0,1]=4 2621 B8R0.21 CNCCCS(=O)(=O)N 7a_106832991635_100000750626 [0,2,0,0,0,0|1,0,1]=4 2622 B8R0.21 CNCCCS(=O)(=O)[O-] 34a_100102657272_100009813499 [0,2,0,0,0,0|1,0,1]=4 2623 B8R0.21 CS(=O)(=O)CCCN[13CH3] 2230a_100000742409_200025704644 [0,2,0,0,0,0|1,0,1]=4 2624 B8R0.21 CS(=O)(=O)CCCN[13CH3] 34a_100000742409_200025704644 [0,2,0,0,0,0|1,0,1]=4 2625 B8R0.21 NCCOCS(=O)(=O)[O-] 34a_100000210304_100009817235 [0,2,0,0,0,0|1,0,1]=4 2626 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,2,0,0,0,0|1,0,1]=4 2627 B8R0.28 C=C(C)COC[C@@H](C)N 34a_100000737577_100000748629 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,2,0,0,0,0|1,0,1]=4 2629 B8R0.28 C=C(F)COC[C@@H](C)N 34a_100000737577_100009893438 [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,2,0,0,0,0|1,0,0]=3 2632 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|2,0,0]=4 2633 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|2,0,0]=4 2635 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,2,0,0,0,0|1,0,0]=3 2636 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,2,0,0,0,0|1,0,0]=3 2637 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,2,0,0,0,0|1,0,1]=4 2638 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,2,0,0,0,0|1,0,1]=4 2639 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,2,0,0,0,0|1,0,1]=4 2640 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,2,0,0,0,0|1,0,1]=4 2641 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,2,0,0,0,0|1,0,1]=4 2642 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,2,0,0,0,0|2,0,0]=4 2644 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,2,0,0,0,0|2,0,0]=4 2645 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,2,0,0,0,0|2,0,0]=4 2646 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,2,0,0,0,0|2,0,0]=4 2647 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,2,0,0,0,0|2,0,0]=4 2648 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,2,0,0,0,0|1,0,1]=4 2649 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,2,0,0,0,0|1,0,1]=4 2650 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,2,0,0,0,0|2,0,0]=4 2652 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.28 CC(=O)COCC(F)F 34a_100000211253_100011934356 [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,2,0,0,0,0|1,0,1]=4 2656 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,2,0,0,0,0|1,0,1]=4 2657 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,2,0,0,0,0|1,0,1]=4 2658 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,2,0,0,0,0|2,0,0]=4 2659 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,2,0,0,0,0|2,0,0]=4 2660 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,2,0,0,0,0|2,0,0]=4 2661 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,2,0,0,0,0|2,0,0]=4 2662 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,2,0,0,0,0|2,0,0]=4 2663 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,2,0,0,0,0|2,0,0]=4 2664 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,2,0,0,0,0|2,0,0]=4 2665 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,2,0,0,0,0|2,0,0]=4 2666 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,2,0,0,0,0|2,0,0]=4 2667 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,2,0,0,0,0|2,0,0]=4 2668 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,2,0,0,0,0|2,0,0]=4 2669 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,2,0,0,0,0|2,0,0]=4 2670 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,2,0,0,0,0|1,0,1]=4 2671 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|2,0,0]=4 2672 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,2,0,0,0,0|1,0,0]=3 2676 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,2,0,0,0,0|1,0,1]=4 2677 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,2,0,0,0,0|1,0,1]=4 2680 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,2,0,0,0,0|2,0,0]=4 2681 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,2,0,0,0,0|1,0,1]=4 2683 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,2,0,0,0,0|1,0,1]=4 2684 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.28 CC(C)NOCC(=O)O 269956a_100000106656_100000210206 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,2,0,0,0,0|2,0,0]=4 2688 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,2,0,0,0,0|1,0,1]=4 2694 B8R0.28 CC(O)CCCN(C)C 2230a_100102631434_200000718107 [0,2,0,0,0,0|1,0,1]=4 2695 B8R0.28 CC(O)CCCN(C)C 269982a_100102631434_200000718107 [0,2,0,0,0,0|1,0,1]=4 2696 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,2,0,0,0,0|2,0,0]=4 2697 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,2,0,0,0,0|2,0,0]=4 2699 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,2,0,0,0,0|1,0,0]=3 2700 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,2,0,0,0,0|1,0,1]=4 2701 B8R0.28 CC(O)COC[C@@H](C)N 34a_100000737577_100011218427 [0,2,0,0,0,0|1,0,1]=4 2702 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,2,0,0,0,0|2,0,0]=4 2703 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,2,0,0,0,0|2,0,0]=4 2704 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,2,0,0,0,0|1,0,1]=4 2705 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,2,0,0,0,0|1,0,1]=4 2706 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,2,0,0,0,0|1,0,0]=3 2707 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,2,0,0,0,0|0,0,0]=2 2708 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,2,0,0,0,0|2,0,0]=4 2710 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,2,0,0,0,0|0,0,0]=2 2712 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,2,0,0,0,0|2,0,0]=4 2713 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,2,0,0,0,0|1,0,1]=4 2714 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,2,0,0,0,0|1,0,0]=3 2715 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,2,0,0,0,0|0,0,1]=3 2716 B8R0.28 C[C@@H](N)COC[C@@H](C)O 34a_100000737577_100009817552 [0,2,0,0,0,0|1,0,1]=4 2717 B8R0.28 C[C@@H](N)COC[N+](=O)[O-] 34a_100000737577_100000761209 [0,2,0,0,0,0|1,0,1]=4 2718 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,2,0,0,0,0|1,0,0]=3 2720 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,2,0,0,0,0|2,0,0]=4 2722 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,2,0,0,0,0|1,0,1]=4 2723 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,2,0,0,0,0|1,0,1]=4 2724 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,2,0,0,0,0|1,0,1]=4 2725 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,2,0,0,0,0|0,0,1]=3 2726 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,2,0,0,0,0|1,0,1]=4 2730 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,2,0,0,0,0|0,0,2]=4 2731 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,2,0,0,0,0|0,0,2]=4 2732 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,2,0,0,0,0|2,0,0]=4 2733 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.28 O=C(O)CNCC(F)F 269956a_100016091260_100011934356 [0,2,0,0,0,0|1,0,0]=3 2735 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,2,0,0,0,0|1,0,1]=4 2737 B8R0.28 O=C([O-])CNCC(F)F 34a_100000765723_100020667443 [0,2,0,0,0,0|1,0,1]=4 2738 B8R0.28 O=C([O-])COCC(F)F 34a_100000743014_100020667443 [0,2,0,0,0,0|1,0,1]=4 2739 B8R0.28 O=C([O-])CSCC(F)F 62a_100011934356_100020667443 [0,2,0,0,0,0|1,0,1]=4 2740 B8R0.28 O=C([O-])CSCC(F)F 62a_100020667443_100011934356 [0,2,0,0,0,0|1,0,1]=4 2741 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,2,0,0,0,0|1,0,1]=4 2742 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,2,0,0,0,0|1,0,1]=4 2743 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,2,0,0,0,0|1,0,1]=4 2744 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,2,0,0,0,0|1,0,1]=4 2745 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|2,0,0]=4 2748 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|2,0,0]=4 2760 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2761 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|2,0,0]=4 2762 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|1,0,0]=3 2763 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2764 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|2,0,0]=4 2765 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|1,0,0]=3 2766 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|2,0,0]=4 2769 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|2,0,0]=4 2771 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|2,0,0]=4 2773 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|2,0,0]=4 2776 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000070787_100000755188 [0,2,0,0,0,0|2,0,0]=4 2777 B8R0.29 CC(=O)CCC(C)(C)C 1458a_100000757465_200000210301 [0,2,0,0,0,0|2,0,0]=4 2778 B8R0.29 CC(=O)CCC(C)(F)F 1458a_100000030992_200000210301 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000070787_100011219754 [0,2,0,0,0,0|2,0,0]=4 2780 B8R0.29 CC(=O)CCC(F)(F)F 1458a_100000755318_200000210301 [0,2,0,0,0,0|2,0,0]=4 2781 B8R0.29 CC(=O)CCS(=O)(=O)N 1458a_100000737202_200000210301 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.29 CC(C)(C)CCC(=O)[13CH3] 1458a_100000757465_200025704644 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.29 CC(C)(C)NCC(=O)O 269956a_100016091260_100000211941 [0,2,0,0,0,0|2,0,0]=4 2784 B8R0.29 CC(F)(F)CCC(=O)[13CH3] 1458a_100000030992_200025704644 [0,2,0,0,0,0|2,0,0]=4 2785 B8R0.29 O=C(O)CNC(F)(F)F 269956a_100016091260_200000243211 [0,2,0,0,0,0|2,0,0]=4 2786 B8R0.29 [13CH3]C(=O)CCC(F)(F)F 1458a_100000755318_200025704644 [0,2,0,0,0,0|2,0,0]=4 2787 B8R0.29 [13CH3]C(=O)CCS(=O)(=O)N 1458a_100000737202_200025704644 [0,2,0,0,0,0|2,0,0]=4 2788 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 2789 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 2790 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 2791 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 2792 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|1,0,1]=4 2793 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|2,0,0]=4 2794 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|1,0,0]=3 2795 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|1,0,1]=4 2796 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|2,0,0]=4 2797 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|2,0,0]=4 2798 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|2,0,0]=4 2799 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|2,0,0]=4 2800 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|1,0,1]=4 2801 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|2,0,0]=4 2802 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|2,0,0]=4 2803 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,1,0,0|1,0,1]=4 2804 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,1,0,0|1,0,1]=4 2805 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,1,0,0|2,0,0]=4 2806 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,1,0,0|2,0,0]=4 2807 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,1,0,0|1,0,1]=4 2808 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,1,0,0|1,0,1]=4 2809 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,1,0,0|2,0,0]=4 2810 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,1,0,0|2,0,0]=4 2811 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,1,0,1,0,0|2,0,0]=4 2812 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,1,0,1,0,0|2,0,0]=4 2813 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,1,0,1,0,0|2,0,0]=4 2814 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,1,0,1,0,0|2,0,0]=4 2815 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,1,0,1,0,0|2,0,0]=4 2816 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,1,0,1,0,0|2,0,0]=4 2817 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|2,0,0]=4 2818 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 2819 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|2,0,0]=4 2820 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|2,0,0]=4 2821 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|0,0,0]=2 2822 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|0,0,0]=2 2823 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|2,0,0]=4 2824 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|2,0,0]=4 2825 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|2,0,0]=4 2826 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|2,0,0]=4 2827 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|2,0,0]=4 2828 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2829 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2830 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,1,0,1,0,0|2,0,0]=4 2831 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,1,0,1,0,0|2,0,0]=4 2832 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,1,0,1,0,0|2,0,0]=4 2833 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,1,0,1,0,0|1,0,1]=4 2834 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|2,0,0]=4 2835 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|2,0,0]=4 2836 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,1,0,1,0,0|2,0,0]=4 2837 B8R1.40 C#CC(=O)CC1CO1 1458a_100000211873_100011216344 [0,1,0,1,0,0|2,0,0]=4 2838 B8R1.40 C#CC(=O)CC1CS1 1458a_100000211873_100000031435 [0,1,0,1,0,0|2,0,0]=4 2839 B8R1.40 C#CC(=O)C[C@@H]1CO1 1458a_100000211873_100000745022 [0,1,0,1,0,0|2,0,0]=4 2840 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,1,0,1,0,0|2,0,0]=4 2841 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [0,1,0,1,0,0|2,0,0]=4 2842 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [0,1,0,1,0,0|2,0,0]=4 2843 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [0,1,0,1,0,0|2,0,0]=4 2844 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,1,0,1,0,0|2,0,0]=4 2845 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,1,0,1,0,0|2,0,0]=4 2846 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,1,0,1,0,0|2,0,0]=4 2847 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,1,0,1,0,0|2,0,0]=4 2848 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,1,0,1,0,0|2,0,0]=4 2849 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,1,0,1,0,0|2,0,0]=4 2850 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 2851 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 2852 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,1,0,1,0,0|2,0,0]=4 2853 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,1,0,1,0,0|2,0,0]=4 2854 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,1,0,1,0,0|1,0,0]=3 2855 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [0,1,0,1,0,0|1,0,0]=3 2856 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [0,1,0,1,0,0|1,0,0]=3 2857 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [0,1,0,1,0,0|1,0,0]=3 2858 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 2859 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,1,0,1,0,0|2,0,0]=4 2860 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,1,0,1,0,0|2,0,0]=4 2861 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,1,0,1,0,0|2,0,0]=4 2862 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,1,0,1,0,0|2,0,0]=4 2863 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|1,0,1]=4 2864 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|2,0,0]=4 2865 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|2,0,0]=4 2866 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|1,0,1]=4 2867 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,1,0,1,0,0|2,0,0]=4 2868 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,1,0,1,0,0|2,0,0]=4 2869 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,1,0,1,0,0|2,0,0]=4 2870 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,1,0,1,0,0|2,0,0]=4 2871 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,1,0,1,0,0|2,0,0]=4 2872 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,1,0,1,0,0|2,0,0]=4 2873 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,1,0,1,0,0|2,0,0]=4 2874 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 2875 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,1,0,1,0,0|2,0,0]=4 2876 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,1,0,1,0,0|2,0,0]=4 2877 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,1,0,1,0,0|2,0,0]=4 2878 B8R1.83 O=C(CF)[C@@H]1C[C@@H]1F 1458a_100015396687_100015361967 [0,1,0,1,0,0|2,0,0]=4 2879 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|2,0,0]=4 2880 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|2,0,0]=4 2881 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|2,0,0]=4 2882 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|2,0,0]=4 2883 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|2,0,0]=4 2884 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|2,0,0]=4 2885 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 2886 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 2887 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|2,0,0]=4 2888 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|2,0,0]=4 2889 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 2890 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 2891 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 2892 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|2,0,0]=4 2893 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|2,0,0]=4 2894 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|1,0,0]=3 2895 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|2,0,0]=4 2896 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 2897 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|2,0,0]=4 2898 B8R1.6 C=C1CC(C1)CNC 2230a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 2899 B8R1.6 C=C1CC(C1)CNC 34a_100102567296_200000210301 [0,1,0,1,0,0|2,0,0]=4 2900 B8R1.6 C=C1CC(C1)CN[13CH3] 2230a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 2901 B8R1.6 C=C1CC(C1)CN[13CH3] 34a_100102567296_200025704644 [0,1,0,1,0,0|2,0,0]=4 2902 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,1,0,1,0,0|2,0,0]=4 2903 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 2904 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,1,0,0|1,0,0]=3 2905 B8R1.6 CNCC1CC(C1)O 2230a_100016992100_200000210301 [0,1,0,1,0,0|1,0,1]=4 2906 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,1,0,0|2,0,0]=4 2907 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|2,0,0]=4 2908 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|2,0,0]=4 2909 B8R1.6 O=C1CC(C1)SCF 62a_100009894365_100015361967 [0,1,0,1,0,0|2,0,0]=4 2910 B8R1.6 [13CH3]NCC1CC(C1)O 2230a_100016992100_200025704644 [0,1,0,1,0,0|1,0,1]=4 2911 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,1,0,0|2,0,0]=4 2912 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|2,0,0]=4 2913 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|2,0,0]=4 2914 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|2,0,0]=4 2915 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|2,0,0]=4 2916 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|2,0,0]=4 2917 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|2,0,0]=4 2918 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|2,0,0]=4 2919 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|2,0,0]=4 2920 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|2,0,0]=4 2921 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|2,0,0]=4 2922 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|2,0,0]=4 2923 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|2,0,0]=4 2924 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|2,0,0]=4 2925 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|2,0,0]=4 2926 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|2,0,0]=4 2927 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|2,0,0]=4 2928 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|2,0,0]=4 2929 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|2,0,0]=4 2930 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,1,0,1,0,0|2,0,0]=4 2931 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,1,0,1,0,0|2,0,0]=4 2932 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,1,0,1,0,0|2,0,0]=4 2933 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,1,0,1,0,0|2,0,0]=4 2934 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,1,0,1,0,0|2,0,0]=4 2935 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,1,0,1,0,0|2,0,0]=4 2936 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,1,0,1,0,0|2,0,0]=4 2937 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,1,0,1,0,0|2,0,0]=4 2938 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,1,0,1,0,0|1,0,0]=3 2939 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,1,0,1,0,0|1,0,1]=4 2940 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,1,0,1,0,0|1,0,1]=4 2941 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|2,0,0]=4 2942 B8R1.36 CNCCCC1CO1 2230a_106832991635_100000733510 [0,1,0,1,0,0|1,0,1]=4 2943 B8R1.36 CNCCCC1CO1 34a_100102657272_100000733510 [0,1,0,1,0,0|1,0,1]=4 2944 B8R1.36 CNCCCC1CO1 7a_106832991635_100000733510 [0,1,0,1,0,0|1,0,1]=4 2945 B8R1.36 NCCOCC1CO1 34a_100000210304_102125554688 [0,1,0,1,0,0|1,0,1]=4 2946 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|2,0,0]=4 2947 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,1,0,0|2,0,0]=4 2948 B8R1.23 CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200000210301 [0,1,0,1,0,0|1,0,1]=4 2949 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|2,0,0]=4 2950 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|2,0,0]=4 2951 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,1,0,0|2,0,0]=4 2952 B8R1.23 [13CH3]C(=O)[C@@H]1CC(=O)N1 1458a_100016090685_200025704644 [0,1,0,1,0,0|1,0,1]=4 2953 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,1,0,0|2,0,0]=4 2954 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|2,0,0]=4 2955 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|2,0,0]=4 2956 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|2,0,0]=4 2957 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|2,0,0]=4 2958 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,1,0,1,0,0|2,0,0]=4 2959 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|2,0,0]=4 2960 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|2,0,0]=4 2961 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,1,0,1,0,0|2,0,0]=4