0 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 C=CC(=O)NCC(=O)C 1458a_200011222540_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.9 C=CC(=O)NCC(=O)N 240690a_100000711301_200121576911 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.9 C=CC(=O)NCC(=O)[13CH3] 1458a_200011222540_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.9 C=CC(C)OCC(=C)C 34a_100000695699_100000748629 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.9 C=CC(C)OCC(=C)F 34a_100000695699_100009893438 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.9 C=CC(C)OCC(C)O 34a_100000695699_100011218427 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.9 C=CC(C)OC[C@@H](C)O 34a_100000695699_100009817552 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.9 C=CC(C)OC[N+](=O)[O-] 34a_100000695699_100000761209 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.9 C=CC(C)SCC(=C)C 62a_100011215867_100000211660 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.9 C=CC(C)SCC(=C)F 62a_100011215867_100000042424 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.9 C=CC(C)SCC(C)O 62a_100011215867_100011218427 [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 C=CC(C)SC[C@@H](C)O 62a_100011215867_100009817552 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.9 C=CC(C)SC[N+](=O)[O-] 62a_100011215867_100000761209 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.9 C=C[C@H](N)COC(C)C 34a_100016989147_100000210206 [0,0,0,0,0,0|3,0,1]=4 22 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,0|2,0,2]=4 24 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,0|2,0,2]=4 25 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,0|2,0,2]=4 26 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [1,0,0,0,0,0|2,0,0]=3 32 B7R0.3 C=CC(C)SCCO 62a_100011215867_100000211926 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [1,0,0,0,0,0|3,0,0]=4 35 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [1,0,0,0,0,0|3,0,0]=4 36 B7R0.3 C=C[C@H](N)COCC 34a_100016989147_100000210202 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.3 C=C[C@H](N)COCF 34a_100016989147_100015361967 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|1,0,2]=4 39 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [1,0,0,0,0,0|3,0,0]=4 47 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|2,0,0]=3 49 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [1,0,0,0,0,0|3,0,0]=4 53 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [1,0,0,0,0,0|1,0,0]=2 56 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [1,0,0,0,0,0|2,0,1]=4 57 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [1,0,0,0,0,0|2,0,1]=4 58 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [1,0,0,0,0,0|3,0,0]=4 61 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [1,0,0,0,0,0|3,0,0]=4 62 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [1,0,0,0,0,0|3,0,0]=4 65 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [1,0,0,0,0,0|2,0,0]=3 66 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.4 C=CCOCC(C)O 34a_200000210373_100011218427 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 C=CCOC[C@@H](C)O 34a_200000210373_100009817552 [1,0,0,0,0,0|2,0,1]=4 70 B7R0.4 C=CCOC[N+](=O)[O-] 34a_200000210373_100000761209 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [1,0,0,0,0,0|1,0,1]=3 80 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [1,0,0,0,0,0|1,0,1]=3 81 B7R0.4 C=CCSCC(C)O 62a_100000210623_100011218427 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.4 C=CCSCC(C)O 62a_100011218427_100000210623 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 C=CCSC[C@@H](C)O 62a_100000210623_100009817552 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.4 C=CCSC[C@@H](C)O 62a_100009817552_100000210623 [1,0,0,0,0,0|2,0,1]=4 85 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|2,0,1]=4 88 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|2,0,1]=4 94 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|2,0,1]=4 95 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|2,0,1]=4 96 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|1,0,2]=4 98 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|1,0,2]=4 99 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|1,0,2]=4 101 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|2,0,1]=4 102 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|2,0,1]=4 103 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,1]=4 104 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,1]=4 105 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,1]=4 106 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [1,0,0,0,0,0|3,0,0]=4 123 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [1,0,0,0,0,0|3,0,0]=4 124 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [1,0,0,0,0,0|3,0,0]=4 125 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [1,0,0,0,0,0|2,0,0]=3 128 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [1,0,0,0,0,0|2,0,1]=4 130 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|2,0,1]=4 131 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,1]=4 134 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,0|2,0,1]=4 140 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,0|2,0,1]=4 141 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,0|2,0,1]=4 145 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,1,0,0,0,0|2,0,1]=4 146 B9R0.23 C=CC(C)C(=O)CC(=O)N 1458a_100011216780_100000187820 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.23 C=CC(C)C(=O)CC(=O)[O-] 1458a_100011216780_100020667443 [0,1,0,0,0,0|1,0,2]=4 148 B9R0.23 C=CC(C)N(C)CC(=O)O 269956a_100000746989_100011215867 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.24 C=CC(C)OCC(=O)NC 34a_100000695699_100000183359 [0,1,0,0,0,0|3,0,0]=4 150 B9R0.24 C=CC(C)OCC(=O)OC 34a_100000695699_100000747449 [0,1,0,0,0,0|2,0,0]=3 151 B9R0.24 C=CC(C)SCC(=O)CC 62a_100011215867_100000747405 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.24 C=CC(C)SCC(=O)NC 62a_100011215867_100000183359 [0,1,0,0,0,0|3,0,0]=4 153 B9R0.24 C=CC(C)SCC(=O)OC 62a_100011215867_100000747449 [0,1,0,0,0,0|2,0,0]=3 154 B9R0.24 C=C[C@H](N)COC(C)CO 34a_100016989147_100012180447 [0,1,0,0,0,0|2,0,1]=4 155 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,0|2,0,0]=3 156 B9R0.42 C=CC(C)OC(C)C(=O)N 34a_100000695699_100000702099 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.42 C=CC(C)OC(F)C(=O)N 34a_100000695699_100009813875 [0,1,0,0,0,0|3,0,0]=4 158 B9R0.42 C=CC(C)OC(F)C(=O)[O-] 34a_100000695699_100020610796 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.42 C=CC(C)SC(C)C(=O)C 62a_100011215867_100009814033 [0,1,0,0,0,0|3,0,0]=4 160 B9R0.42 C=CC(C)SC(C)C(=O)N 62a_100011215867_100000702099 [0,1,0,0,0,0|3,0,0]=4 161 B9R0.42 C=CC(C)SC(F)C(=O)N 62a_100011215867_100009813875 [0,1,0,0,0,0|3,0,0]=4 162 B9R0.42 C=CC(C)SC(F)C(=O)[O-] 62a_100011215867_100020610796 [0,1,0,0,0,0|2,0,1]=4 163 B9R0.43 C=CC(C=C)OCC(=O)N 34a_100000033096_100000187820 [0,1,0,0,0,0|3,0,0]=4 164 B9R0.43 C=CC(C=C)OCC(=O)[O-] 34a_100000033096_100020667443 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.43 C=CC(CC)OCC(=O)N 34a_100000766422_100000187820 [0,1,0,0,0,0|3,0,0]=4 166 B9R0.43 C=CC(CC)OCC(=O)N 7a_100000766422_100000187820 [0,1,0,0,0,0|3,0,0]=4 167 B9R0.43 C=CC(CC)OCC(=O)[O-] 34a_100000766422_100020667443 [0,1,0,0,0,0|2,0,1]=4 168 B9R0.43 C=C[C@@H](CO)NCC(=O)N 2230a_100016989147_100000747473 [0,1,0,0,0,0|3,0,0]=4 169 B9R0.43 C=C[C@@H](CO)NCC(=O)N 34a_100016989147_100000187820 [0,1,0,0,0,0|3,0,0]=4 170 B9R0.43 C=C[C@@H](CO)NCC(=O)[O-] 34a_100016989147_100020667443 [0,1,0,0,0,0|2,0,1]=4 171 B9R0.43 O=CC(C=O)NCC(=O)O 269956a_100016091260_100011218033 [0,1,0,0,0,0|3,0,0]=4 172 B9R0.48 C/C=C/C(C)OCC(=O)N 34a_200102604097_100000187820 [0,1,0,0,0,0|3,0,0]=4 173 B9R0.48 C/C=C/C(C)OCC(=O)[O-] 34a_200102604097_100020667443 [0,1,0,0,0,0|2,0,1]=4 174 B9R0.48 C=CCC(=O)CCC(=O)N 1458a_100011215257_100000210623 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.48 C=CCN(C)CCC(=O)C 269982a_100000225617_100000053229 [0,1,0,0,0,0|3,0,0]=4 176 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000225617_100000744528 [0,1,0,0,0,0|3,0,0]=4 177 B9R0.48 C=CCN(C)CCC(=O)N 2230a_100000730477_100000210623 [0,1,0,0,0,0|3,0,0]=4 178 B9R0.48 C=CCN(C)CCC(=O)N 269982a_100000225617_100000744528 [0,1,0,0,0,0|3,0,0]=4 179 B9R0.48 C=CC[C@@H](C)OCC(=O)N 34a_100000731007_100000187820 [0,1,0,0,0,0|3,0,0]=4 180 B9R0.48 C=CC[C@@H](C)OCC(=O)N 7a_100000731007_100000187820 [0,1,0,0,0,0|3,0,0]=4 181 B9R0.48 C=CC[C@@H](C)OCC(=O)[O-] 34a_100000731007_100020667443 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.64 C=CC(C)(C)OCC(=O)N 34a_100011215311_100000187820 [0,1,0,0,0,0|3,0,0]=4 183 B9R0.64 C=CC(C)(C)OCC(=O)N 7a_100011215311_100000187820 [0,1,0,0,0,0|3,0,0]=4 184 B9R0.64 C=CC(C)(C)OCC(=O)[O-] 34a_100011215311_100020667443 [0,1,0,0,0,0|2,0,1]=4 185 B9R0.64 C=CC(F)(F)NCC(=O)O 269956a_100016091260_100009814244 [0,1,0,0,0,0|2,0,0]=3 186 B9R0.64 C=CC(F)(F)SCC(=O)N 62a_100000747473_100009814244 [0,1,0,0,0,0|3,0,0]=4 187 B9R0.64 C=CC(F)(F)SCC(=O)N 62a_100009814244_100000747473 [0,1,0,0,0,0|3,0,0]=4 188 B9R0.64 C=CC(F)(F)SCC(=O)[O-] 62a_100009814244_100020667443 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.64 C=CC(F)(F)SCC(=O)[O-] 62a_100020667443_100009814244 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200000210301 [0,0,0,1,0,0|2,0,1]=4 191 B9R1.95 [13CH3]N[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_200025704644 [0,0,0,1,0,0|2,0,1]=4 192 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [0,0,0,0,1,0|2,0,1]=4 193 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [0,0,0,0,1,0|1,0,2]=4 194 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,1,0|2,0,0]=3 195 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,1,0|2,0,0]=3 196 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [0,0,0,0,0,1|2,0,1]=4 197 B9R0.1 C=CC(=O)CCCC(=O)N 1458a_100000185746_100102525003 [0,0,0,0,0,1|2,0,1]=4 198 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [0,0,0,0,0,1|2,0,1]=4 199 B9R0.1 C=CC(=O)CCNC(=O)N 1458a_100000185746_200000034859 [0,0,0,0,0,1|2,0,1]=4 200 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [0,0,0,0,0,1|2,0,1]=4 201 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [0,0,0,0,0,1|2,0,1]=4 202 B9R0.1 C=CC(=O)NCCC(=O)N 240690a_100000740010_200121576911 [0,0,0,0,0,1|2,0,1]=4 203 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [0,0,0,0,0,1|2,0,1]=4 204 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [0,0,0,0,0,1|2,0,1]=4 205 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [0,0,0,0,0,1|2,0,1]=4 206 B9R0.1 C=CC(C)COCC(=C)C 34a_100011215527_100000748629 [0,0,0,0,0,1|3,0,0]=4 207 B9R0.1 C=CC(C)COCC(=C)C 7a_100011215527_100000748629 [0,0,0,0,0,1|3,0,0]=4 208 B9R0.1 C=CC(C)COCC(=C)F 34a_100011215527_100009893438 [0,0,0,0,0,1|3,0,0]=4 209 B9R0.1 C=CC(C)COCC(=C)F 7a_100011215527_100000042424 [0,0,0,0,0,1|3,0,0]=4 210 B9R0.1 C=CC(C)COCC(=O)N 34a_100011215527_100000187820 [0,0,0,0,0,1|2,0,0]=3 211 B9R0.1 C=CC(C)COCC(=O)N 7a_100011215527_100000187820 [0,0,0,0,0,1|2,0,0]=3 212 B9R0.1 C=CC(C)COCC(=O)[O-] 34a_100011215527_100020667443 [0,0,0,0,0,1|1,0,1]=3 213 B9R0.1 C=CC(C)COCC(C)O 34a_100011215527_100011218427 [0,0,0,0,0,1|2,0,1]=4 214 B9R0.1 C=CC(C)COCC(C)O 7a_100011215527_100011218427 [0,0,0,0,0,1|2,0,1]=4 215 B9R0.1 C=CC(C)COC[C@@H](C)O 34a_100011215527_100009817552 [0,0,0,0,0,1|2,0,1]=4 216 B9R0.1 C=CC(C)COC[C@@H](C)O 7a_100011215527_100009817552 [0,0,0,0,0,1|2,0,1]=4 217 B9R0.1 C=CC(C)COC[N+](=O)[O-] 34a_100011215527_100000761209 [0,0,0,0,0,1|2,0,1]=4 218 B9R0.1 C=CC(C)NOCC(=O)O 269956a_100000106656_100011215867 [0,0,0,0,0,1|2,0,0]=3 219 B9R0.1 C=CC(C)OCCC(=C)C 34a_100000695699_100000730704 [0,0,0,0,0,1|3,0,0]=4 220 B9R0.1 C=CC(C)OCCC(=O)N 34a_100000695699_100000731001 [0,0,0,0,0,1|2,0,0]=3 221 B9R0.1 C=CC(C)OCCC(C)O 34a_100000695699_100012276601 [0,0,0,0,0,1|2,0,1]=4 222 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [0,0,0,0,0,1|3,0,0]=4 223 B9R0.1 C=CC(C)SCCC(=C)C 62a_100011215867_100000730704 [0,0,0,0,0,1|3,0,0]=4 224 B9R0.1 C=CC(C)SCCC(=O)C 62a_100011215867_100000053229 [0,0,0,0,0,1|2,0,0]=3 225 B9R0.1 C=CC(C)SCCC(=O)N 62a_100011215867_100000744528 [0,0,0,0,0,1|2,0,0]=3 226 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [0,0,0,0,0,1|2,0,1]=4 227 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [0,0,0,0,0,1|3,0,0]=4 228 B9R0.1 C=CC(O)CNCC(=O)N 2230a_100000711301_100000730141 [0,0,0,0,0,1|2,0,0]=3 229 B9R0.1 C=CC(O)CNCC(=O)O 269956a_100016091260_100000730141 [0,0,0,0,0,1|1,0,0]=2 230 B9R0.1 C=CC(O)CNCC(C)O 2230a_100000210904_100000730141 [0,0,0,0,0,1|2,0,1]=4 231 B9R0.1 C=CC(O)CNCC(C)O 34a_100000210904_100000730141 [0,0,0,0,0,1|2,0,1]=4 232 B9R0.1 C=CC(O)COCC(=C)C 34a_100000210245_100000730141 [0,0,0,0,0,1|3,0,0]=4 233 B9R0.1 C=CC(O)COCC(=C)F 34a_200010262243_100000730141 [0,0,0,0,0,1|3,0,0]=4 234 B9R0.1 C=CC(O)COCC(=O)C 34a_100000211253_100000730141 [0,0,0,0,0,1|2,0,0]=3 235 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000730141_100000211660 [0,0,0,0,0,1|3,0,0]=4 236 B9R0.1 C=CC(O)CSCC(=C)C 62a_100000748629_100000730141 [0,0,0,0,0,1|3,0,0]=4 237 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000042424_100000730141 [0,0,0,0,0,1|3,0,0]=4 238 B9R0.1 C=CC(O)CSCC(=C)F 62a_100000730141_100000042424 [0,0,0,0,0,1|3,0,0]=4 239 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000730141_100000747473 [0,0,0,0,0,1|2,0,0]=3 240 B9R0.1 C=CC(O)CSCC(=O)N 62a_100000747473_100000730141 [0,0,0,0,0,1|2,0,0]=3 241 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100000730141_100020667443 [0,0,0,0,0,1|1,0,1]=3 242 B9R0.1 C=CC(O)CSCC(=O)[O-] 62a_100020667443_100000730141 [0,0,0,0,0,1|1,0,1]=3 243 B9R0.1 C=CC(O)CSCC(C)O 62a_100000730141_100011218427 [0,0,0,0,0,1|2,0,1]=4 244 B9R0.1 C=CC(O)CSCC(C)O 62a_100011218427_100000730141 [0,0,0,0,0,1|2,0,1]=4 245 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100000730141_100009817552 [0,0,0,0,0,1|2,0,1]=4 246 B9R0.1 C=CC(O)CSC[C@@H](C)O 62a_100009817552_100000730141 [0,0,0,0,0,1|2,0,1]=4 247 B9R0.1 C=CC(O)CSC[N+](=O)[O-] 62a_100000730141_100000761209 [0,0,0,0,0,1|2,0,1]=4 248 B9R0.1 C=C[C@H](N)COCC(=C)C 34a_100016989147_100000748629 [0,0,0,0,0,1|2,0,0]=3 249 B9R0.1 C=C[C@H](N)COCC(=C)F 34a_100016989147_100009893438 [0,0,0,0,0,1|2,0,0]=3 250 B9R0.1 C=C[C@H](N)COCC(=O)N 34a_100016989147_100000187820 [0,0,0,0,0,1|1,0,0]=2 251 B9R0.1 C=C[C@H](N)COCC(=O)[O-] 34a_100016989147_100020667443 [0,0,0,0,0,1|0,0,1]=2 252 B9R0.1 C=C[C@H](N)COCC(C)C 34a_100016989147_100000210624 [0,0,0,0,0,1|2,0,1]=4 253 B9R0.1 C=C[C@H](N)COCC(C)O 34a_100016989147_100011218427 [0,0,0,0,0,1|1,0,1]=3 254 B9R0.1 C=C[C@H](N)COCC(F)F 34a_100016989147_100011934356 [0,0,0,0,0,1|2,0,1]=4 255 B9R0.1 C=C[C@H](N)COC[C@@H](C)O 34a_100016989147_100009817552 [0,0,0,0,0,1|1,0,1]=3 256 B9R0.1 C=C[C@H](N)COC[N+](=O)[O-] 34a_100016989147_100000761209 [0,0,0,0,0,1|1,0,1]=3 257 B9R0.1 CCC(C)CNCC(=O)O 269956a_100016091260_100000748023 [0,0,0,0,0,1|1,0,2]=4 258 B9R0.1 CCC(O)CNCC(=O)O 269956a_100016091260_100011218378 [0,0,0,0,0,1|1,0,2]=4 259 B9R0.1 CC[C@H](C)CNCC(=O)O 269956a_100016091260_100009816398 [0,0,0,0,0,1|1,0,2]=4 260 B9R0.1 C[C@@H](CO)CNCC(=O)O 269956a_100016091260_100000059175 [0,0,0,0,0,1|2,0,1]=4 261 B9R0.1 O=C(O)CNCC(O)CO 269956a_100016091260_100011219619 [0,0,0,0,0,1|2,0,1]=4 262 B9R0.1 O=C(O)CNC[C@@H](O)CF 269956a_100016091260_100015614560 [0,0,0,0,0,1|2,0,1]=4 263 B9R0.1 O=C(O)CNC[C@@H](O)CO 269956a_100016091260_100009815848 [0,0,0,0,0,1|2,0,1]=4 264 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|1,0,1]=4 265 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [2,0,0,0,0,0|1,0,1]=4 267 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|1,0,0]=3 268 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|1,0,0]=3 269 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [2,0,0,0,0,0|2,0,0]=4 271 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [2,0,0,0,0,0|2,0,0]=4 273 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 276 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [2,0,0,0,0,0|2,0,0]=4 285 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 286 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [2,0,0,0,0,0|2,0,0]=4 292 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [2,0,0,0,0,0|2,0,0]=4 294 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [2,0,0,0,0,0|2,0,0]=4 295 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [2,0,0,0,0,0|2,0,0]=4 296 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [2,0,0,0,0,0|1,0,0]=3 298 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [2,0,0,0,0,0|1,0,1]=4 299 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [2,0,0,0,0,0|1,0,0]=3 303 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [2,0,0,0,0,0|1,0,0]=3 307 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [2,0,0,0,0,0|1,0,1]=4 309 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,1]=4 312 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [2,0,0,0,0,0|2,0,0]=4 314 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,1]=4 315 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,1]=4 316 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [1,1,0,0,0,0|2,0,0]=4 317 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [1,1,0,0,0,0|2,0,0]=4 318 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [1,1,0,0,0,0|2,0,0]=4 319 B8R0.6 C#CCOC[C@@H](N)C=C 34a_100016989147_100000184674 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [1,1,0,0,0,0|1,0,0]=3 321 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.6 C=CC(C)COCCO 34a_100011215527_100000211926 [1,1,0,0,0,0|1,0,1]=4 323 B8R0.6 C=CC(C)COCCO 7a_100011215527_100000211926 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.6 C=CC(C)OCCCO 34a_100000695699_100000230001 [1,1,0,0,0,0|1,0,1]=4 325 B8R0.6 C=CC(C)SCCCO 62a_100011215867_100011215043 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [1,1,0,0,0,0|1,0,0]=3 329 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [1,1,0,0,0,0|1,0,0]=3 330 B8R0.6 C=CC(O)CSCCO 62a_100000211926_100000730141 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.6 C=CC(O)CSCCO 62a_100000730141_100000211926 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [1,1,0,0,0,0|2,0,0]=4 333 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [1,1,0,0,0,0|2,0,0]=4 334 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [1,1,0,0,0,0|2,0,0]=4 335 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [1,1,0,0,0,0|2,0,0]=4 336 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [1,1,0,0,0,0|2,0,0]=4 337 B8R0.6 C=CCOCC(O)C=C 34a_200000210373_100000730141 [1,1,0,0,0,0|2,0,0]=4 338 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [1,1,0,0,0,0|2,0,0]=4 340 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [1,1,0,0,0,0|2,0,0]=4 341 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [1,1,0,0,0,0|0,0,0]=2 342 B8R0.6 C=C[C@H](N)COCCC 34a_100016989147_100000210303 [1,1,0,0,0,0|1,0,1]=4 343 B8R0.6 C=C[C@H](N)COCCF 34a_100016989147_100011217306 [1,1,0,0,0,0|1,0,1]=4 344 B8R0.6 C=C[C@H](N)COCCO 34a_100016989147_100000211926 [1,1,0,0,0,0|0,0,1]=3 345 B8R0.6 C=C[C@H](N)COCSC 34a_100016989147_100011218213 [1,1,0,0,0,0|2,0,0]=4 346 B8R0.11 C=CC(C=C)OCC=O 34a_100000033096_200009817547 [1,1,0,0,0,0|2,0,0]=4 347 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [1,1,0,0,0,0|2,0,0]=4 349 B8R0.11 C=C[C@@H](CO)NCC=O 2230a_100016989147_200015260668 [1,1,0,0,0,0|2,0,0]=4 350 B8R0.11 C=C[C@@H](CO)NCC=O 34a_100016989147_200009817547 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.25 C=CC(C)(C)OCC=O 34a_100011215311_200009817547 [1,1,0,0,0,0|2,0,0]=4 352 B8R0.25 C=CC(C)(C)OCC=O 7a_100011215311_200015260668 [1,1,0,0,0,0|2,0,0]=4 353 B8R0.25 C=CC(F)(F)SCC=O 62a_100009814244_200015260668 [1,1,0,0,0,0|2,0,0]=4 354 B8R0.25 C=CC(F)(F)SCC=O 62a_200015260668_100009814244 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [1,1,0,0,0,0|1,0,1]=4 356 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [1,1,0,0,0,0|1,0,1]=4 357 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [1,1,0,0,0,0|0,0,2]=4 358 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [1,1,0,0,0,0|2,0,0]=4 359 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [1,1,0,0,0,0|2,0,0]=4 360 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [1,1,0,0,0,0|2,0,0]=4 361 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [1,1,0,0,0,0|1,0,0]=3 362 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [1,1,0,0,0,0|1,0,0]=3 363 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [1,1,0,0,0,0|1,0,1]=4 364 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [1,1,0,0,0,0|1,0,0]=3 365 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [1,1,0,0,0,0|2,0,0]=4 366 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [1,1,0,0,0,0|1,0,1]=4 367 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [1,1,0,0,0,0|1,0,1]=4 368 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [1,1,0,0,0,0|0,0,2]=4 369 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,1,0,0,0,0|1,0,0]=3 370 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,1,0,0,0,0|2,0,0]=4 371 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,1,0,0,0,0|2,0,0]=4 372 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,1,0,0,0,0|2,0,0]=4 374 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,1,0,0,0,0|2,0,0]=4 375 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,1,0,0,0,0|1,0,1]=4 377 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|1,0,0]=3 378 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|1,0,0]=3 379 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|1,0,0]=3 380 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,1,0,0,0,0|1,0,0]=3 381 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,1,0,0,0,0|1,0,0]=3 382 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,1,0,0,0,0|1,0,0]=3 384 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [1,1,0,0,0,0|2,0,0]=4 385 B8R0.7 C=CCCNCC(=C)F 2230a_100015191253_100009893438 [1,1,0,0,0,0|2,0,0]=4 386 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [1,1,0,0,0,0|1,0,0]=3 387 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [1,1,0,0,0,0|1,0,0]=3 388 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [1,1,0,0,0,0|0,0,0]=2 389 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 390 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [1,1,0,0,0,0|1,0,1]=4 391 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [1,1,0,0,0,0|2,0,0]=4 394 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [1,1,0,0,0,0|2,0,0]=4 395 B8R0.7 C=CCCOCC(=C)F 34a_100011205117_100009893438 [1,1,0,0,0,0|2,0,0]=4 396 B8R0.7 C=CCCOCC(=C)F 34a_200010262243_100000754431 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [1,1,0,0,0,0|1,0,0]=3 398 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [1,1,0,0,0,0|1,0,0]=3 399 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [1,1,0,0,0,0|0,0,1]=3 400 B8R0.7 C=CCCOCC(C)O 34a_100011205117_100011218427 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.7 C=CCCOC[C@@H](C)O 34a_100011205117_100009817552 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.7 C=CCCOC[N+](=O)[O-] 34a_100011205117_100000761209 [1,1,0,0,0,0|1,0,1]=4 403 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [1,1,0,0,0,0|2,0,0]=4 404 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [1,1,0,0,0,0|2,0,0]=4 405 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [1,1,0,0,0,0|2,0,0]=4 406 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [1,1,0,0,0,0|2,0,0]=4 407 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [1,1,0,0,0,0|1,0,0]=3 408 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [1,1,0,0,0,0|0,0,1]=3 410 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [1,1,0,0,0,0|0,0,1]=3 411 B8R0.7 C=CCCSCC(C)O 62a_100000754431_100011218427 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.7 C=CCCSCC(C)O 62a_100011218427_100000754431 [1,1,0,0,0,0|1,0,1]=4 413 B8R0.7 C=CCCSC[C@@H](C)O 62a_100000754431_100009817552 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.7 C=CCCSC[C@@H](C)O 62a_100009817552_100000754431 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.7 C=CCCSC[N+](=O)[O-] 62a_100000754431_100000761209 [1,1,0,0,0,0|1,0,1]=4 416 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [1,1,0,0,0,0|1,0,0]=3 418 B8R0.7 C=CCNCCC(C)O 2230a_100020586998_100012276601 [1,1,0,0,0,0|1,0,1]=4 419 B8R0.7 C=CCNCCC(C)O 2230a_200000755665_100000210623 [1,1,0,0,0,0|1,0,1]=4 420 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [1,1,0,0,0,0|1,0,0]=3 421 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [1,1,0,0,0,0|2,0,0]=4 422 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [1,1,0,0,0,0|2,0,0]=4 423 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [1,1,0,0,0,0|2,0,0]=4 424 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,1,0,0,0,0|1,0,0]=3 426 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,1,0,0,0,0|1,0,0]=3 427 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [1,1,0,0,0,0|1,0,0]=3 428 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [1,1,0,0,0,0|1,0,0]=3 429 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [1,1,0,0,0,0|1,0,0]=3 430 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,1,0,0,0,0|1,0,0]=3 431 B8R0.7 C=CCOCCC(C)O 34a_200000210373_100012276601 [1,1,0,0,0,0|1,0,1]=4 432 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,1,0,0,0,0|2,0,0]=4 433 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [1,1,0,0,0,0|2,0,0]=4 434 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,1,0,0,0,0|1,0,0]=3 436 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,1,0,0,0,0|1,0,0]=3 437 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [1,1,0,0,0,0|1,0,0]=3 438 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [1,1,0,0,0,0|1,0,0]=3 439 B8R0.7 C=CCSCCC(C)O 62a_100000210623_100012276601 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.7 C=CCSCCC(C)O 62a_100012276601_100000210623 [1,1,0,0,0,0|1,0,1]=4 441 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,1,0,0,0,0|2,0,0]=4 442 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,1,0,0,0,0|2,0,0]=4 443 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [1,1,0,0,0,0|2,0,0]=4 444 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [1,1,0,0,0,0|2,0,0]=4 445 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [1,1,0,0,0,0|2,0,0]=4 446 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [1,1,0,0,0,0|2,0,0]=4 447 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,1,0,0,0,0|2,0,0]=4 448 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,1,0,0,0,0|2,0,0]=4 449 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,1,0,0,0,0|2,0,0]=4 450 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,1,0,0,0,0|2,0,0]=4 451 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,1,0,0,0,0|1,0,1]=4 452 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,1,0,0,0,0|1,0,1]=4 453 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|0,0,2]=4 454 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,1]=4 455 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [1,1,0,0,0,0|1,0,1]=4 456 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [1,1,0,0,0,0|1,0,1]=4 458 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [1,1,0,0,0,0|2,0,0]=4 459 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [1,1,0,0,0,0|2,0,0]=4 460 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [1,1,0,0,0,0|2,0,0]=4 461 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [1,1,0,0,0,0|2,0,0]=4 462 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,1]=4 463 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,1]=4 464 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [1,1,0,0,0,0|2,0,0]=4 465 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,1]=4 466 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [1,1,0,0,0,0|2,0,0]=4 467 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [1,1,0,0,0,0|1,0,0]=3 468 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [1,1,0,0,0,0|2,0,0]=4 469 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [1,1,0,0,0,0|2,0,0]=4 470 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [1,1,0,0,0,0|2,0,0]=4 472 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [1,1,0,0,0,0|2,0,0]=4 473 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [1,1,0,0,0,0|1,0,1]=4 475 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [1,1,0,0,0,0|2,0,0]=4 476 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [1,1,0,0,0,0|1,0,0]=3 477 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [1,1,0,0,0,0|2,0,0]=4 478 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [1,1,0,0,0,0|2,0,0]=4 479 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [1,1,0,0,0,0|1,0,1]=4 480 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [1,1,0,0,0,0|2,0,0]=4 481 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [1,1,0,0,0,0|2,0,0]=4 482 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100000042424_100020667443 [1,1,0,0,0,0|1,0,1]=4 483 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100020667443_100000042424 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|1,0,1]=4 485 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [1,1,0,0,0,0|1,0,1]=4 486 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [1,1,0,0,0,0|1,0,1]=4 487 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [1,1,0,0,0,0|1,0,1]=4 488 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [1,1,0,0,0,0|2,0,0]=4 489 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [1,1,0,0,0,0|2,0,0]=4 490 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,1,0|0,0,2]=4 491 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,1,0|0,0,2]=4 492 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,1,0|1,0,1]=4 493 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,1,0|1,0,1]=4 494 B10R0.3 C/C=C/C(C)OCCC(=O)N 34a_200102604097_100000731001 [0,1,0,0,0,1|2,0,0]=4 495 B10R0.3 C=CCC(C)COCC(=O)N 34a_100009832082_100000187820 [0,1,0,0,0,1|2,0,0]=4 496 B10R0.3 C=CCC(C)COCC(=O)N 7a_100009832082_100000187820 [0,1,0,0,0,1|2,0,0]=4 497 B10R0.3 C=CCC(C)COCC(=O)[O-] 34a_100009832082_100020667443 [0,1,0,0,0,1|1,0,1]=4 498 B10R0.3 C=CCN(C)CCCC(=O)O 269956a_100000719178_100000210623 [0,1,0,0,0,1|2,0,0]=4 499 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 7a_100000731007_100000053229 [0,1,0,0,0,1|2,0,0]=4 500 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 34a_100000731007_100000731001 [0,1,0,0,0,1|2,0,0]=4 501 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 7a_100000731007_100000744528 [0,1,0,0,0,1|2,0,0]=4 502 B10R0.3 C=CC[C@@H](N)COCC(=C)C 34a_100020615467_100000748629 [0,1,0,0,0,1|2,0,0]=4 503 B10R0.3 C=CC[C@@H](N)COCC(=C)F 34a_100020615467_100009893438 [0,1,0,0,0,1|2,0,0]=4 504 B10R0.3 C=CC[C@@H](N)COCC(=O)N 34a_100020615467_100000187820 [0,1,0,0,0,1|1,0,0]=3 505 B10R0.3 C=CC[C@@H](N)COCC(=O)[O-] 34a_100020615467_100020667443 [0,1,0,0,0,1|0,0,1]=3 506 B10R0.3 C=CC[C@@H](N)COCC(C)O 34a_100020615467_100011218427 [0,1,0,0,0,1|1,0,1]=4 507 B10R0.3 C=CC[C@@H](N)COC[C@@H](C)O 34a_100020615467_100009817552 [0,1,0,0,0,1|1,0,1]=4 508 B10R0.3 C=CC[C@@H](N)COC[N+](=O)[O-] 34a_100020615467_100000761209 [0,1,0,0,0,1|1,0,1]=4 509 B10R0.3 C=COC(=O)CNCC(=O)O 269956a_100016091260_100000036128 [0,1,0,0,0,1|1,0,1]=4 510 B10R0.44 C=CC(C)CC(=O)CC(=O)N 1458a_100011934298_100000187820 [0,1,0,0,0,1|2,0,0]=4 511 B10R0.44 C=CC(C)CC(=O)CC(=O)[O-] 1458a_100011934298_100020667443 [0,1,0,0,0,1|1,0,1]=4 512 B10R0.44 C=CC(O)CN(C)CC(=O)N 2230a_100000739694_100000730141 [0,1,0,0,0,1|2,0,0]=4 513 B10R0.44 C=CC(O)CN(C)CC(=O)O 269956a_100000746989_100000730141 [0,1,0,0,0,1|1,0,0]=3 514 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(=O)N 34a_100015455354_100000187820 [0,1,0,0,0,1|2,0,0]=4 515 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(=O)N 7a_100015455354_100000187820 [0,1,0,0,0,1|2,0,0]=4 516 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(=O)[O-] 34a_100015455354_100020667443 [0,1,0,0,0,1|1,0,1]=4 517 B10R0.59 C=CC(=O)CCCC(=O)OC 1458a_100000185746_100011218270 [0,1,0,0,0,1|1,0,1]=4 518 B10R0.59 C=CC(=O)OCCC(=O)CO 1458a_100000210174_100009813456 [0,1,0,0,0,1|1,0,1]=4 519 B10R0.59 C=CC(C)COCC(=O)CC 7a_100011215527_100000747405 [0,1,0,0,0,1|2,0,0]=4 520 B10R0.59 C=CC(C)COCC(=O)NC 34a_100011215527_100000183359 [0,1,0,0,0,1|2,0,0]=4 521 B10R0.59 C=CC(C)COCC(=O)NC 7a_100011215527_100000183359 [0,1,0,0,0,1|2,0,0]=4 522 B10R0.59 C=CC(C)COCC(=O)OC 34a_100011215527_100000747449 [0,1,0,0,0,1|1,0,0]=3 523 B10R0.59 C=CC(C)COCC(=O)OC 7a_100011215527_100000747449 [0,1,0,0,0,1|1,0,0]=3 524 B10R0.59 C=CC(C)OCCC(=O)NC 34a_100000695699_100012179268 [0,1,0,0,0,1|2,0,0]=4 525 B10R0.59 C=CC(C)OCCC(=O)OC 34a_100000695699_100000742370 [0,1,0,0,0,1|1,0,0]=3 526 B10R0.59 C=CC(C)SCCC(=O)NC 62a_100011215867_100000737683 [0,1,0,0,0,1|2,0,0]=4 527 B10R0.59 C=CC(C)SCCC(=O)OC 62a_100011215867_100000204255 [0,1,0,0,0,1|1,0,0]=3 528 B10R0.59 C=CC(C)SCOC(=O)OC 62a_100011215867_100000139417 [0,1,0,0,0,1|2,0,0]=4 529 B10R0.59 C=CC(O)CNCC(=O)NC 2230a_100000693194_100000730141 [0,1,0,0,0,1|2,0,0]=4 530 B10R0.59 C=CC(O)COCC(=O)CC 34a_100000725409_100000730141 [0,1,0,0,0,1|2,0,0]=4 531 B10R0.59 C=CC(O)COCC(=O)NC 34a_100000750040_100000730141 [0,1,0,0,0,1|2,0,0]=4 532 B10R0.59 C=CC(O)COC[C@@H](N)C=C 34a_100016989147_100000730141 [0,1,0,0,0,1|1,0,1]=4 533 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000730141_100000747405 [0,1,0,0,0,1|2,0,0]=4 534 B10R0.59 C=CC(O)CSCC(=O)CC 62a_100000747405_100000730141 [0,1,0,0,0,1|2,0,0]=4 535 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000183359_100000730141 [0,1,0,0,0,1|2,0,0]=4 536 B10R0.59 C=CC(O)CSCC(=O)NC 62a_100000730141_100000183359 [0,1,0,0,0,1|2,0,0]=4 537 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000730141_100000747449 [0,1,0,0,0,1|1,0,0]=3 538 B10R0.59 C=CC(O)CSCC(=O)OC 62a_100000747449_100000730141 [0,1,0,0,0,1|1,0,0]=3 539 B10R0.59 C=C[C@H](N)COCC(=C)C#N 34a_100016989147_100000694840 [0,1,0,0,0,1|2,0,0]=4 540 B10R0.59 C=C[C@H](N)COCC(=O)NC 34a_100016989147_100000183359 [0,1,0,0,0,1|1,0,0]=3 541 B10R0.59 C=C[C@H](N)COCC(=O)OC 34a_100016989147_100000747449 [0,1,0,0,0,1|0,0,0]=2 542 B10R0.59 C=C[C@H](N)COCC(O)CC 34a_100016989147_100011218378 [0,1,0,0,0,1|1,0,1]=4 543 B10R0.59 C=C[C@H](N)COCC(O)CO 34a_100016989147_100011219619 [0,1,0,0,0,1|0,0,2]=4 544 B10R0.59 C=C[C@H](N)COC[C@@H](C)CO 34a_100016989147_100000059175 [0,1,0,0,0,1|1,0,1]=4 545 B10R0.59 C=C[C@H](N)COC[C@@H](O)CF 34a_100016989147_100015614560 [0,1,0,0,0,1|1,0,1]=4 546 B10R0.59 C=C[C@H](N)COC[C@@H](O)CO 34a_100016989147_100009815848 [0,1,0,0,0,1|0,0,2]=4 547 B10R0.60 C=C[C@H](N)COCC(C)(C)O 34a_100016989147_100000764493 [0,1,0,0,0,1|1,0,1]=4 548 B10R0.60 C=C[C@H](N)COCS(=O)(=O)[O-] 34a_100016989147_100009817235 [0,1,0,0,0,1|1,0,1]=4 549 B10R0.65 C=CC(C)(C)OCCC(=O)C 7a_100011215311_100000053229 [0,1,0,0,0,1|2,0,0]=4 550 B10R0.65 C=CC(C)(C)OCCC(=O)N 34a_100011215311_100000731001 [0,1,0,0,0,1|2,0,0]=4 551 B10R0.65 C=CC(C)(C)OCCC(=O)N 7a_100011215311_100000744528 [0,1,0,0,0,1|2,0,0]=4 552 B10R0.65 C=CC(F)(F)NOCC(=O)O 269956a_100000106656_100009814244 [0,1,0,0,0,1|2,0,0]=4 553 B10R0.65 C=CC(F)(F)SCCC(=O)C 62a_100000053229_100009814244 [0,1,0,0,0,1|2,0,0]=4 554 B10R0.65 C=CC(F)(F)SCCC(=O)C 62a_100009814244_100000053229 [0,1,0,0,0,1|2,0,0]=4 555 B10R0.65 C=CC(F)(F)SCCC(=O)N 62a_100000744528_100009814244 [0,1,0,0,0,1|2,0,0]=4 556 B10R0.65 C=CC(F)(F)SCCC(=O)N 62a_100009814244_100000744528 [0,1,0,0,0,1|2,0,0]=4 557 B10R0.65 C=C[Si](C)(C)CNCC(=O)O 269956a_100016091260_100000038793 [0,1,0,0,0,1|1,1,0]=4 558 B10R0.77 C=CC(C=C)OCCC(=O)N 34a_100000033096_100000731001 [0,1,0,0,0,1|2,0,0]=4 559 B10R0.77 C=CC(CC)OCCC(=O)C 7a_100000766422_100000053229 [0,1,0,0,0,1|2,0,0]=4 560 B10R0.77 C=CC(CC)OCCC(=O)N 34a_100000766422_100000731001 [0,1,0,0,0,1|2,0,0]=4 561 B10R0.77 C=CC(CC)OCCC(=O)N 7a_100000766422_100000744528 [0,1,0,0,0,1|2,0,0]=4 562 B10R0.77 C=C[C@@H](CO)NCCC(=O)N 2230a_100016989147_100000744528 [0,1,0,0,0,1|2,0,0]=4 563 B10R0.77 C=C[C@@H](CO)NCCC(=O)N 34a_100016989147_100000731001 [0,1,0,0,0,1|2,0,0]=4 564 B10R0.82 C=CC(C)COC(C)C(=O)C 7a_100011215527_100000179758 [0,1,0,0,0,1|2,0,0]=4 565 B10R0.82 C=CC(C)COC(C)C(=O)N 34a_100011215527_100000702099 [0,1,0,0,0,1|2,0,0]=4 566 B10R0.82 C=CC(C)COC(C)C(=O)N 7a_100011215527_100000702099 [0,1,0,0,0,1|2,0,0]=4 567 B10R0.82 C=CC(C)COC(F)C(=O)N 34a_100011215527_100009813875 [0,1,0,0,0,1|2,0,0]=4 568 B10R0.82 C=CC(C)COC(F)C(=O)N 7a_100011215527_100009813875 [0,1,0,0,0,1|2,0,0]=4 569 B10R0.82 C=CC(C)COC(F)C(=O)[O-] 34a_100011215527_100020610796 [0,1,0,0,0,1|1,0,1]=4 570 B10R0.82 C=CC(C)NCC(C)C(=O)O 269956a_100000749485_100011215867 [0,1,0,0,0,1|1,0,0]=3 571 B10R0.82 C=CC(C)NCC(F)C(=O)O 269956a_100000084737_100011215867 [0,1,0,0,0,1|1,0,0]=3 572 B10R0.82 C=CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000730141 [0,1,0,0,0,1|1,0,0]=3 573 B10R0.82 C=CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100000730141 [0,1,0,0,0,1|2,0,0]=4 574 B10R0.82 C=CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100000730141 [0,1,0,0,0,1|2,0,0]=4 575 B10R0.82 C=CC(O)COC(C)C(=O)C 34a_100000212229_100000730141 [0,1,0,0,0,1|2,0,0]=4 576 B10R0.82 C=CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000730141 [0,1,0,0,0,1|1,0,1]=4 577 B10R0.82 C=CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100000730141 [0,1,0,0,0,1|2,0,0]=4 578 B10R0.82 C=CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100000730141 [0,1,0,0,0,1|2,0,0]=4 579 B10R0.82 C=CC(O)CSC(C)C(=O)C 62a_100000730141_100009814033 [0,1,0,0,0,1|2,0,0]=4 580 B10R0.82 C=CC(O)CSC(C)C(=O)C 62a_100009814033_100000730141 [0,1,0,0,0,1|2,0,0]=4 581 B10R0.82 C=CC(O)CSC(C)C(=O)N 62a_100000702099_100000730141 [0,1,0,0,0,1|2,0,0]=4 582 B10R0.82 C=CC(O)CSC(C)C(=O)N 62a_100000730141_100000702099 [0,1,0,0,0,1|2,0,0]=4 583 B10R0.82 C=CC(O)CSC(F)C(=O)N 62a_100000730141_100009813875 [0,1,0,0,0,1|2,0,0]=4 584 B10R0.82 C=CC(O)CSC(F)C(=O)N 62a_100009813875_100000730141 [0,1,0,0,0,1|2,0,0]=4 585 B10R0.82 C=CC(O)CSC(F)C(=O)[O-] 62a_100000730141_100020610796 [0,1,0,0,0,1|1,0,1]=4 586 B10R0.82 C=CC(O)CSC(F)C(=O)[O-] 62a_100020610796_100000730141 [0,1,0,0,0,1|1,0,1]=4 587 B10R0.82 C=C[C@H](N)COC(C)C(=O)N 34a_100016989147_100000702099 [0,1,0,0,0,1|1,0,0]=3 588 B10R0.82 C=C[C@H](N)COC(F)C(=O)N 34a_100016989147_100009813875 [0,1,0,0,0,1|1,0,0]=3 589 B10R0.82 C=C[C@H](N)COC(F)C(=O)[O-] 34a_100016989147_100020610796 [0,1,0,0,0,1|0,0,1]=3 590 B10R0.98 C=C(C)C(C)NCCC(=O)N 269862a_100000740010_100011216138 [0,1,0,0,0,1|2,0,0]=4 591 B10R0.98 NC(=O)COC[C@H](N)C(=O)N 34a_100000729942_100000187820 [0,1,0,0,0,1|2,0,0]=4 592 B10R0.98 NC(=O)[C@@H](N)COCC(=O)[O-] 34a_100000729942_100020667443 [0,1,0,0,0,1|1,0,1]=4 593 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200000210301 [0,2,0,0,0,0|2,0,0]=4 594 B10R0.84 CN[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200000210301 [0,2,0,0,0,0|2,0,0]=4 595 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 2230a_200000143477_200025704644 [0,2,0,0,0,0|2,0,0]=4 596 B10R0.84 [13CH3]N[C@@H](CCC(=O)N)C(=O)N 34a_200000143477_200025704644 [0,2,0,0,0,0|2,0,0]=4 597 B10R0.115 C=CC(C)(C)OCC(=O)OC 34a_100011215311_100000747449 [0,2,0,0,0,0|2,0,0]=4 598 B10R0.115 C=CC(C)(C)OCC(=O)OC 7a_100011215311_100000747449 [0,2,0,0,0,0|2,0,0]=4 599 B10R0.115 C=CC(F)(F)SCC(=O)OC 62a_100000747449_100009814244 [0,2,0,0,0,0|2,0,0]=4 600 B10R0.115 C=CC(F)(F)SCC(=O)OC 62a_100009814244_100000747449 [0,2,0,0,0,0|2,0,0]=4 601 B10R0.46 C=CC(C)C(=O)CC(=O)OC 1458a_100011216780_100000747449 [0,2,0,0,0,0|1,0,1]=4 602 B10R0.46 C=CC(C)OC(C)C(=O)OC 34a_100000695699_100000211248 [0,2,0,0,0,0|2,0,0]=4 603 B10R0.46 C=CC(C)SC(C)C(=O)OC 62a_100011215867_100000211248 [0,2,0,0,0,0|2,0,0]=4 604 B10R0.54 C=CC(C)N(CC)CC(=O)O 269956a_100000746405_100011215867 [0,2,0,0,0,0|2,0,0]=4 605 B10R0.56 C=CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100011215867 [0,2,0,0,0,0|2,0,0]=4 606 B10R0.63 C=CC(F)(F)N(C)CC(=O)O 269956a_100000746989_100009814244 [0,2,0,0,0,0|2,0,0]=4 607 B10R0.45 C=CC(C=C)OCC(=O)OC 34a_100000033096_100000747449 [0,2,0,0,0,0|2,0,0]=4 608 B10R0.45 C=CC(CC)OCC(=O)OC 34a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 609 B10R0.45 C=CC(CC)OCC(=O)OC 7a_100000766422_100000747449 [0,2,0,0,0,0|2,0,0]=4 610 B10R0.45 C=C[C@@H](CO)NCC(=O)OC 2230a_100016989147_100000747449 [0,2,0,0,0,0|2,0,0]=4 611 B10R0.45 C=C[C@@H](CO)NCC(=O)OC 34a_100016989147_100000747449 [0,2,0,0,0,0|2,0,0]=4 612 B10R0.108 C/C=C/C(C)OCC(=O)OC 34a_200102604097_100000747449 [0,2,0,0,0,0|2,0,0]=4 613 B10R0.108 C=CC(C)OCC(=O)NCO 34a_100000695699_100000185155 [0,2,0,0,0,0|2,0,0]=4 614 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,2,0,0,0,0|2,0,0]=4 615 B10R0.108 C=CC(C)SCC(=O)NCO 62a_100011215867_100000185155 [0,2,0,0,0,0|2,0,0]=4 616 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,2,0,0,0,0|2,0,0]=4 617 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [0,2,0,0,0,0|1,0,1]=4 618 B10R0.108 C=CCN(C)CCC(=O)OC 2230a_100000225617_100000204255 [0,2,0,0,0,0|2,0,0]=4 619 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100000225617_100000204255 [0,2,0,0,0,0|2,0,0]=4 620 B10R0.108 C=CCN(C)CCC(=O)OC 269982a_100025711912_100000210623 [0,2,0,0,0,0|2,0,0]=4 621 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 34a_100000731007_100000747449 [0,2,0,0,0,0|2,0,0]=4 622 B10R0.108 C=CC[C@@H](C)OCC(=O)OC 7a_100000731007_100000747449 [0,2,0,0,0,0|2,0,0]=4 623 B10R0.108 C=COC(=O)COC(C)C=C 34a_100000695699_100000036128 [0,2,0,0,0,0|2,0,0]=4 624 B10R0.108 C=COC(=O)CSC(C)C=C 62a_100011215867_100000036128 [0,2,0,0,0,0|2,0,0]=4 625 B10R0.53 C=CC(C)NC(CO)C(=O)O 269956a_100000187304_100011215867 [0,2,0,0,0,0|2,0,0]=4 626 B10R0.53 C=CC(C)N[C@@H](C=C)C(=O)O 269956a_100016992060_100011215867 [0,2,0,0,0,0|2,0,0]=4 627 B10R0.53 C=CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100011215867 [0,2,0,0,0,0|2,0,0]=4 628 B10R0.67 C=CC(F)(F)N[C@@H](C)C(=O)O 269956a_100000743915_100009814244 [0,2,0,0,0,0|2,0,0]=4 629 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [1,0,0,1,0,0|2,0,0]=4 630 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [1,0,0,1,0,0|1,0,1]=4 631 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [1,0,0,1,0,0|1,0,1]=4 632 B10R1.153 C=C[C@H](N)COCC1CO1 34a_100016989147_102125554688 [0,0,0,1,0,1|1,0,1]=4 633 B10R1.25 CNC1CCC(=O)NC1=O 2230a_100000691121_200000210301 [0,1,0,1,0,0|2,0,0]=4 634 B10R1.25 CNC1CCC(=O)NC1=O 2230a_106832991635_100000694648 [0,1,0,1,0,0|2,0,0]=4 635 B10R1.25 CNC1CCC(=O)NC1=O 34a_100000691121_200000210301 [0,1,0,1,0,0|2,0,0]=4 636 B10R1.25 CNC1CCC(=O)NC1=O 7a_106832991635_100000694648 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 2230a_100000691121_200025704644 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.25 [13CH3]NC1CCC(=O)NC1=O 34a_100000691121_200025704644 [0,1,0,1,0,0|2,0,0]=4 639 B10R1.235 C=C[C@@]1(C[C@@H](C1)C(=O)C)O 1458a_214967552222_200000210301 [0,1,0,1,0,0|2,0,0]=4 640 B10R1.235 C=C[C@@]1(C[C@@H](C1)C(=O)[13CH3])O 1458a_214967552222_200025704644 [0,1,0,1,0,0|2,0,0]=4 641 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,1,0,1,0,0|1,0,1]=4 642 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,1,0,1,0,0|1,0,1]=4 643 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,1,0,1,0,0|1,0,1]=4 644 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,1,0,1,0,0|1,0,1]=4 645 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,1,0,1,0,0|1,0,1]=4 646 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,1,0,1,0,0|1,0,1]=4 647 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,1,0,1,0,0|1,0,1]=4 648 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,1,0,1,0,0|1,0,1]=4 649 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,2,0|2,0,0]=4 650 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,2,0|2,0,0]=4 651 B10R0.55 C=CC(C)COCCC(=O)C 7a_100011215527_100000053229 [0,0,0,0,0,2|2,0,0]=4 652 B10R0.55 C=CC(C)COCCC(=O)N 34a_100011215527_100000731001 [0,0,0,0,0,2|2,0,0]=4 653 B10R0.55 C=CC(C)COCCC(=O)N 7a_100011215527_100000744528 [0,0,0,0,0,2|2,0,0]=4 654 B10R0.55 C=CC(C)COCOC(=O)C 34a_100011215527_100009813279 [0,0,0,0,0,2|2,0,0]=4 655 B10R0.55 C=CC(C)OCCCC(=O)C 34a_100000695699_100000685027 [0,0,0,0,0,2|2,0,0]=4 656 B10R0.55 C=CC(C)OCCCC(=O)N 34a_100000695699_100102525003 [0,0,0,0,0,2|2,0,0]=4 657 B10R0.55 C=CC(C)OCCOC(=O)C 34a_100000695699_100009814007 [0,0,0,0,0,2|2,0,0]=4 658 B10R0.55 C=CC(C)OCCOC(=O)N 34a_100000695699_200011214921 [0,0,0,0,0,2|2,0,0]=4 659 B10R0.55 C=CC(C)SCCCC(=O)C 62a_100011215867_100011215641 [0,0,0,0,0,2|2,0,0]=4 660 B10R0.55 C=CC(C)SCCCC(=O)N 62a_100011215867_100102525003 [0,0,0,0,0,2|2,0,0]=4 661 B10R0.55 C=CC(C)SCCNC(=O)C 62a_100011215867_100000189650 [0,0,0,0,0,2|2,0,0]=4 662 B10R0.55 C=CC(C)SCCNC(=O)N 62a_100011215867_200000034859 [0,0,0,0,0,2|2,0,0]=4 663 B10R0.55 C=CC(C)SCCOC(=O)C 62a_100011215867_100009814007 [0,0,0,0,0,2|2,0,0]=4 664 B10R0.55 C=CC(C)SCCOC(=O)N 62a_100011215867_200011214921 [0,0,0,0,0,2|2,0,0]=4 665 B10R0.55 C=CC(O)CNOCC(=O)O 269956a_100000106656_100000730141 [0,0,0,0,0,2|1,0,0]=3 666 B10R0.55 C=CC(O)COCCC(=O)C 34a_100000759926_100000730141 [0,0,0,0,0,2|2,0,0]=4 667 B10R0.55 C=CC(O)COCCC(=O)C 7a_100000759926_100000730141 [0,0,0,0,0,2|2,0,0]=4 668 B10R0.55 C=CC(O)COCCC(=O)N 34a_100000757172_100000730141 [0,0,0,0,0,2|2,0,0]=4 669 B10R0.55 C=CC(O)COCCC(=O)N 7a_100000757172_100000730141 [0,0,0,0,0,2|2,0,0]=4 670 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000053229_100000730141 [0,0,0,0,0,2|2,0,0]=4 671 B10R0.55 C=CC(O)CSCCC(=O)C 62a_100000730141_100000053229 [0,0,0,0,0,2|2,0,0]=4 672 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000730141_100000744528 [0,0,0,0,0,2|2,0,0]=4 673 B10R0.55 C=CC(O)CSCCC(=O)N 62a_100000744528_100000730141 [0,0,0,0,0,2|2,0,0]=4 674 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000076356_100000730141 [0,0,0,0,0,2|2,0,0]=4 675 B10R0.55 C=CC(O)CSCOC(=O)C 62a_100000730141_100000076356 [0,0,0,0,0,2|2,0,0]=4 676 B10R0.55 C=C[C@H](N)COCC=C(C)C 34a_100016989147_100000761012 [0,0,0,0,0,2|2,0,0]=4 677 B10R0.55 C=C[C@H](N)COCCC(=C)C 34a_100016989147_100000730704 [0,0,0,0,0,2|2,0,0]=4 678 B10R0.55 C=C[C@H](N)COCCC(=O)N 34a_100016989147_100000731001 [0,0,0,0,0,2|1,0,0]=3 679 B10R0.55 C=C[C@H](N)COCCC(C)O 34a_100016989147_100012276601 [0,0,0,0,0,2|1,0,1]=4 680 B10R0.55 C=C[C@H](N)COCOC(=O)C 34a_100016989147_100009813279 [0,0,0,0,0,2|1,0,0]=3